methyl 2-[2-(2-cyanophenyl)-3-methyl-4-oxidanylidene-quinazolin-6-yl]-3-nitro-benzoate

Systemtic Name: methyl 2-[2-(2-cyanophenyl)-3-methyl-4-oxidanylidene-quinazolin-6-yl]-3-nitro-benzoate Openeye Name: methyl 2-[2-(2-cyanophenyl)-3-methyl-4-oxo-quinazolin-6-yl]-3-nitro-benzoate CAS Name: 2-[2-(2-cyanophenyl)-3-methyl-4-oxo-6-quinazolinyl]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-[2-(2-cyanophenyl)-3-methyl-4-oxoquinazolin-6-yl]-3-nitrobenzoate Traditional Name: 2-[2-(2-cyanophenyl)-4-keto-3-methyl-quinazolin-6-yl]-3-nitro-benzoic acid methyl ester Formula: C24H16N4O5 MolecularWeight: 440.40764

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2=C(C1=O)C=C(C=C2)C3=C(C=CC=C3[N+](=O)[O-])C(=O)OC)C4=CC=CC=C4C#N

Isomeric SMILES

CN1C(=NC2=C(C1=O)C=C(C=C2)C3=C(C=CC=C3[N+](=O)[O-])C(=O)OC)C4=CC=CC=C4C#N

InChI

InChI=1S/C24H16N4O5/c1-27-22(16-7-4-3-6-15(16)13-25)26-19-11-10-14(12-18(19)23(27)29)21-17(24(30)33-2)8-5-9-20(21)28(31)32/h3-12H,1-2H3