2-(2-methyl-5-nitro-phenyl)-4-oxidanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: 2-(2-methyl-5-nitro-phenyl)-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: 2-(2-methyl-5-nitro-phenyl)-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-(2-methyl-5-nitrophenyl)-4-oxo-1H-quinazoline-7-carboxylate IUPAC Name: 2-(2-methyl-5-nitrophenyl)-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 4-keto-2-(2-methyl-5-nitro-phenyl)-1H-quinazoline-7-carboxylate Formula: C16H10N3O5- MolecularWeight: 324.2677

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])C2=NC(=O)C3=C(N2)C=C(C=C3)C(=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])C2=NC(=O)C3=C(N2)C=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C16H11N3O5/c1-8-2-4-10(19(23)24)7-12(8)14-17-13-6-9(16(21)22)3-5-11(13)15(20)18-14/h2-7H,1H3,(H,21,22)(H,17,18,20)/p-1