methyl 4-[[2-(6-nitro-4-oxidanylidene-quinazolin-3-yl)ethanoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[2-(6-nitro-4-oxidanylidene-quinazolin-3-yl)ethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-(6-nitro-4-oxo-quinazolin-3-yl)acetyl]amino]methyl]benzoate CAS Name: 4-[[[2-(6-nitro-4-oxo-3-quinazolinyl)-1-oxoethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-(6-nitro-4-oxoquinazolin-3-yl)acetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-(4-keto-6-nitro-quinazolin-3-yl)acetyl]amino]methyl]benzoic acid methyl ester Formula: C19H16N4O6 MolecularWeight: 396.35354

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC(=O)CN2C=NC3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)CN2C=NC3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H16N4O6/c1-29-19(26)13-4-2-12(3-5-13)9-20-17(24)10-22-11-21-16-7-6-14(23(27)28)8-15(16)18(22)25/h2-8,11H,9-10H2,1H3,(H,20,24)