2-[(4-nitrophenyl)methyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: 2-[(4-nitrophenyl)methyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: 2-[(4-nitrophenyl)methyl]-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-[(4-nitrophenyl)methyl]-4-oxo-1H-quinazoline-7-carboxylate IUPAC Name: 2-[(4-nitrophenyl)methyl]-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 4-keto-2-(4-nitrobenzyl)-1H-quinazoline-7-carboxylate Formula: C16H10N3O5- MolecularWeight: 324.2677

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC2=NC(=O)C3=C(N2)C=C(C=C3)C(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CC2=NC(=O)C3=C(N2)C=C(C=C3)C(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H11N3O5/c20-15-12-6-3-10(16(21)22)8-13(12)17-14(18-15)7-9-1-4-11(5-2-9)19(23)24/h1-6,8H,7H2,(H,21,22)(H,17,18,20)/p-1