(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 2-[4-(methylamino)-3-nitro-phenyl]carbonylbenzoate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 2-[4-(methylamino)-3-nitro-phenyl]carbonylbenzoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-[4-(methylamino)-3-nitro-benzoyl]benzoate CAS Name: 2-[[4-(methylamino)-3-nitrophenyl]-oxomethyl]benzoic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-[4-(methylamino)-3-nitrobenzoyl]benzoate Traditional Name: 2-[4-(methylamino)-3-nitro-benzoyl]benzoic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C23H17N5O6 MolecularWeight: 459.41098

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OCN3C(=O)C4=CC=CC=C4N=N3)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OCN3C(=O)C4=CC=CC=C4N=N3)[N+](=O)[O-]

InChI

InChI=1S/C23H17N5O6/c1-24-19-11-10-14(12-20(19)28(32)33)21(29)15-6-2-3-7-16(15)23(31)34-13-27-22(30)17-8-4-5-9-18(17)25-26-27/h2-12,24H,13H2,1H3