azanyl 2-[[6-[[(7E)-7-[(2-azanyloxycarbonylphenyl)hydrazinylidene]-3,6-bis(azanyloxysulfonyl)-8-oxidanylidene-naphthalen-1-yl]amino]-4-oxidanylidene-1H-1,3,5-triazin-2-yl]amino]benzoate

Systemtic Name: azanyl 2-[[6-[[(7E)-7-[(2-azanyloxycarbonylphenyl)hydrazinylidene]-3,6-bis(azanyloxysulfonyl)-8-oxidanylidene-naphthalen-1-yl]amino]-4-oxidanylidene-1H-1,3,5-triazin-2-yl]amino]benzoate Openeye Name: amino 2-[[6-[[(7E)-7-[(2-aminooxycarbonylphenyl)hydrazono]-3,6-bis(aminooxysulfonyl)-8-oxo-1-naphthyl]amino]-4-oxo-1H-1,3,5-triazin-2-yl]amino]benzoate CAS Name: 2-[[6-[[(7E)-7-[[2-[aminooxy(oxo)methyl]phenyl]hydrazinylidene]-3,6-bis(aminooxysulfonyl)-8-oxo-1-naphthalenyl]amino]-4-oxo-1H-1,3,5-triazin-2-yl]amino]benzoic acid amino ester IUPAC Name: amino 2-[[6-[[(7E)-7-[(2-aminooxycarbonylphenyl)hydrazinylidene]-3,6-bis(aminooxysulfonyl)-8-oxonaphthalen-1-yl]amino]-4-oxo-1H-1,3,5-triazin-2-yl]amino]benzoate Traditional Name: 2-[[6-[[(7E)-7-[(2-aminooxycarbonylphenyl)hydrazono]-3,6-bis(aminooxysulfonyl)-8-keto-1-naphthyl]amino]-4-keto-1H-s-triazin-2-yl]amino]benzoic acid amino ester Formula: C27H23N11O12S2 MolecularWeight: 757.66802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)ON)NC2=NC(=O)N=C(N2)NC3=C4C(=CC(=C3)S(=O)(=O)ON)C=C(C(=NNC5=CC=CC=C5C(=O)ON)C4=O)S(=O)(=O)ON

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)ON)NC2=NC(=O)N=C(N2)NC3=C4C(=CC(=C3)S(=O)(=O)ON)C=C(/C(=N/NC5=CC=CC=C5C(=O)ON)/C4=O)S(=O)(=O)ON

InChI

InChI=1S/C27H23N11O12S2/c28-47-23(40)14-5-1-3-7-16(14)32-25-34-26(36-27(42)35-25)33-18-11-13(51(43,44)49-30)9-12-10-19(52(45,46)50-31)21(22(39)20(12)18)38-37-17-8-4-2-6-15(17)24(41)48-29/h1-11,37H,28-31H2,(H3,32,33,34,35,36,42)/b38-21-