methyl 4-(2-methyl-7-nitro-4-oxidanylidene-quinazolin-3-yl)benzoate

Systemtic Name: methyl 4-(2-methyl-7-nitro-4-oxidanylidene-quinazolin-3-yl)benzoate Openeye Name: methyl 4-(2-methyl-7-nitro-4-oxo-quinazolin-3-yl)benzoate CAS Name: 4-(2-methyl-7-nitro-4-oxo-3-quinazolinyl)benzoic acid methyl ester IUPAC Name: methyl 4-(2-methyl-7-nitro-4-oxoquinazolin-3-yl)benzoate Traditional Name: 4-(4-keto-2-methyl-7-nitro-quinazolin-3-yl)benzoic acid methyl ester Formula: C17H13N3O5 MolecularWeight: 339.30222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC(=C2)[N+](=O)[O-])C(=O)N1C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=NC2=C(C=CC(=C2)[N+](=O)[O-])C(=O)N1C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C17H13N3O5/c1-10-18-15-9-13(20(23)24)7-8-14(15)16(21)19(10)12-5-3-11(4-6-12)17(22)25-2/h3-9H,1-2H3