azanyl 3-[4-(4-azanyl-4-oxidanylidene-butanoyl)-6-(4-carbamimidoylphenyl)-2-nitro-1,3-benzodioxol-5-yl]propanoate

Systemtic Name: azanyl 3-[4-(4-azanyl-4-oxidanylidene-butanoyl)-6-(4-carbamimidoylphenyl)-2-nitro-1,3-benzodioxol-5-yl]propanoate Openeye Name: amino 3-[4-(4-amino-4-oxo-butanoyl)-6-(4-carbamimidoylphenyl)-2-nitro-1,3-benzodioxol-5-yl]propanoate CAS Name: 3-[4-(4-amino-1,4-dioxobutyl)-6-(4-carbamimidoylphenyl)-2-nitro-1,3-benzodioxol-5-yl]propanoic acid amino ester IUPAC Name: amino 3-[4-(4-amino-4-oxobutanoyl)-6-(4-carbamimidoylphenyl)-2-nitro-1,3-benzodioxol-5-yl]propanoate Traditional Name: 3-[6-(4-amidinophenyl)-4-(4-amino-4-keto-butanoyl)-2-nitro-1,3-benzodioxol-5-yl]propionic acid amino ester Formula: C21H21N5O8 MolecularWeight: 471.42014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC3=C(C(=C2CCC(=O)ON)C(=O)CCC(=O)N)OC(O3)[N+](=O)[O-])C(=N)N

Isomeric SMILES

C1=CC(=CC=C1C2=CC3=C(C(=C2CCC(=O)ON)C(=O)CCC(=O)N)OC(O3)[N+](=O)[O-])C(=N)N

InChI

InChI=1S/C21H21N5O8/c22-16(28)7-6-14(27)18-12(5-8-17(29)34-25)13(10-1-3-11(4-2-10)20(23)24)9-15-19(18)33-21(32-15)26(30)31/h1-4,9,21H,5-8,25H2,(H2,22,28)(H3,23,24)