ethyl 2-(acetyloxymethyl)-5,7-dimethyl-3-(4-nitrophenyl)-4-oxidanylidene-quinazoline-6-carboxylate

Systemtic Name: ethyl 2-(acetyloxymethyl)-5,7-dimethyl-3-(4-nitrophenyl)-4-oxidanylidene-quinazoline-6-carboxylate Openeye Name: ethyl 2-(acetoxymethyl)-5,7-dimethyl-3-(4-nitrophenyl)-4-oxo-quinazoline-6-carboxylate CAS Name: 2-(acetyloxymethyl)-5,7-dimethyl-3-(4-nitrophenyl)-4-oxo-6-quinazolinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(acetyloxymethyl)-5,7-dimethyl-3-(4-nitrophenyl)-4-oxoquinazoline-6-carboxylate Traditional Name: 2-(acetoxymethyl)-4-keto-5,7-dimethyl-3-(4-nitrophenyl)quinazoline-6-carboxylic acid ethyl ester Formula: C22H21N3O7 MolecularWeight: 439.41804

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(C=C1C)N=C(N(C2=O)C3=CC=C(C=C3)[N+](=O)[O-])COC(=O)C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(C=C1C)N=C(N(C2=O)C3=CC=C(C=C3)[N+](=O)[O-])COC(=O)C)C

InChI

InChI=1S/C22H21N3O7/c1-5-31-22(28)19-12(2)10-17-20(13(19)3)21(27)24(18(23-17)11-32-14(4)26)15-6-8-16(9-7-15)25(29)30/h6-10H,5,11H2,1-4H3