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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13N3O5/c1-25-17(22)12-4-2-11(3-5-12)9-19-10-18-15-8-13(20(23)24)6-7-14(15)16(19)21/h2-8,10H,9H2,1H3