4-[2-(6-nitro-4-oxidanylidene-quinazolin-3-yl)ethanoylamino]benzoic acid

Systemtic Name: 4-[2-(6-nitro-4-oxidanylidene-quinazolin-3-yl)ethanoylamino]benzoic acid Openeye Name: 4-[[2-(6-nitro-4-oxo-quinazolin-3-yl)acetyl]amino]benzoic acid CAS Name: 4-[[2-(6-nitro-4-oxo-3-quinazolinyl)-1-oxoethyl]amino]benzoic acid IUPAC Name: 4-[[2-(6-nitro-4-oxoquinazolin-3-yl)acetyl]amino]benzoic acid Traditional Name: 4-[[2-(4-keto-6-nitro-quinazolin-3-yl)acetyl]amino]benzoic acid Formula: C17H12N4O6 MolecularWeight: 368.30038

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)NC(=O)CN2C=NC3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)NC(=O)CN2C=NC3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H12N4O6/c22-15(19-11-3-1-10(2-4-11)17(24)25)8-20-9-18-14-6-5-12(21(26)27)7-13(14)16(20)23/h1-7,9H,8H2,(H,19,22)(H,24,25)