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

Systemtic Name: ethyl 2-(hydroxymethyl)-5,7-dimethyl-3-(2-nitrophenyl)-4-oxidanylidene-quinazoline-6-carboxylate Openeye Name: ethyl 2-(hydroxymethyl)-5,7-dimethyl-3-(2-nitrophenyl)-4-oxo-quinazoline-6-carboxylate CAS Name: 2-(hydroxymethyl)-5,7-dimethyl-3-(2-nitrophenyl)-4-oxo-6-quinazolinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(hydroxymethyl)-5,7-dimethyl-3-(2-nitrophenyl)-4-oxoquinazoline-6-carboxylate Traditional Name: 4-keto-5,7-dimethyl-2-methylol-3-(2-nitrophenyl)quinazoline-6-carboxylic acid ethyl ester Formula: C20H19N3O6 MolecularWeight: 397.38136

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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=CC=C3[N+](=O)[O-])CO)C

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O6/c1-4-29-20(26)17-11(2)9-13-18(12(17)3)19(25)22(16(10-24)21-13)14-7-5-6-8-15(14)23(27)28/h5-9,24H,4,10H2,1-3H3