methyl 4-methyl-6-(4-nitrophenyl)-2-oxidanylidene-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: methyl 4-methyl-6-(4-nitrophenyl)-2-oxidanylidene-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl 3-allyl-4-methyl-6-(4-nitrophenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 4-methyl-6-(4-nitrophenyl)-2-oxo-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 4-methyl-6-(4-nitrophenyl)-2-oxo-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-allyl-2-keto-4-methyl-6-(4-nitrophenyl)-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C16H17N3O5 MolecularWeight: 331.32328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1CC=C)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=C(C(NC(=O)N1CC=C)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C16H17N3O5/c1-4-9-18-10(2)13(15(20)24-3)14(17-16(18)21)11-5-7-12(8-6-11)19(22)23/h4-8,14H,1,9H2,2-3H3,(H,17,21)