methyl 6-[(2-methylpiperidin-1-yl)methyl]-4-(3-nitrophenyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: methyl 6-[(2-methylpiperidin-1-yl)methyl]-4-(3-nitrophenyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: methyl 6-[(2-methyl-1-piperidyl)methyl]-4-(3-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[(2-methyl-1-piperidinyl)methyl]-4-(3-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 6-[(2-methylpiperidin-1-yl)methyl]-4-(3-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 2-keto-6-[(2-methylpiperidino)methyl]-4-(3-nitrophenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C19H24N4O5 MolecularWeight: 388.41766

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1CC2=C(C(NC(=O)N2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1CCCCN1CC2=C(C(NC(=O)N2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C19H24N4O5/c1-12-6-3-4-9-22(12)11-15-16(18(24)28-2)17(21-19(25)20-15)13-7-5-8-14(10-13)23(26)27/h5,7-8,10,12,17H,3-4,6,9,11H2,1-2H3,(H2,20,21,25)