methyl 4-(3-nitrophenyl)-2-oxidanylidene-6-phenethyl-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: methyl 4-(3-nitrophenyl)-2-oxidanylidene-6-phenethyl-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: methyl 4-(3-nitrophenyl)-2-oxo-6-phenethyl-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(3-nitrophenyl)-2-oxo-6-phenethyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 4-(3-nitrophenyl)-2-oxo-6-phenethyl-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 2-keto-4-(3-nitrophenyl)-6-phenethyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C20H19N3O5 MolecularWeight: 381.38196

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(NC(=O)NC1C2=CC(=CC=C2)[N+](=O)[O-])CCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=C(NC(=O)NC1C2=CC(=CC=C2)[N+](=O)[O-])CCC3=CC=CC=C3

InChI

InChI=1S/C20H19N3O5/c1-28-19(24)17-16(11-10-13-6-3-2-4-7-13)21-20(25)22-18(17)14-8-5-9-15(12-14)23(26)27/h2-9,12,18H,10-11H2,1H3,(H2,21,22,25)