(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 4-(methylamino)-3-nitro-benzoate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 4-(methylamino)-3-nitro-benzoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 4-(methylamino)-3-nitro-benzoate CAS Name: 4-(methylamino)-3-nitrobenzoic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 4-(methylamino)-3-nitrobenzoate Traditional Name: 4-(methylamino)-3-nitro-benzoic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C16H13N5O5 MolecularWeight: 355.30492

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C(=O)OCN2C(=O)C3=CC=CC=C3N=N2)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)C(=O)OCN2C(=O)C3=CC=CC=C3N=N2)[N+](=O)[O-]

InChI

InChI=1S/C16H13N5O5/c1-17-13-7-6-10(8-14(13)21(24)25)16(23)26-9-20-15(22)11-4-2-3-5-12(11)18-19-20/h2-8,17H,9H2,1H3