3-[(6-nitro-4-oxidanylidene-1H-quinazolin-2-yl)amino]benzoic acid

Systemtic Name: 3-[(6-nitro-4-oxidanylidene-1H-quinazolin-2-yl)amino]benzoic acid Openeye Name: 3-[(6-nitro-4-oxo-1H-quinazolin-2-yl)amino]benzoic acid CAS Name: 3-[(6-nitro-4-oxo-1H-quinazolin-2-yl)amino]benzoic acid IUPAC Name: 3-[(6-nitro-4-oxo-1H-quinazolin-2-yl)amino]benzoic acid Traditional Name: 3-[(4-keto-6-nitro-1H-quinazolin-2-yl)amino]benzoic acid Formula: C15H10N4O5 MolecularWeight: 326.2637

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC2=NC(=O)C3=C(N2)C=CC(=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)NC2=NC(=O)C3=C(N2)C=CC(=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C15H10N4O5/c20-13-11-7-10(19(23)24)4-5-12(11)17-15(18-13)16-9-3-1-2-8(6-9)14(21)22/h1-7H,(H,21,22)(H2,16,17,18,20)