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

Systemtic Name: methyl 4-(3-nitrophenyl)-2-oxidanylidene-6-(piperidin-1-ylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: methyl 4-(3-nitrophenyl)-2-oxo-6-(1-piperidylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(3-nitrophenyl)-2-oxo-6-(1-piperidinylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 4-(3-nitrophenyl)-2-oxo-6-(piperidin-1-ylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 2-keto-4-(3-nitrophenyl)-6-(piperidinomethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C18H22N4O5 MolecularWeight: 374.39108

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(NC(=O)NC1C2=CC(=CC=C2)[N+](=O)[O-])CN3CCCCC3

Isomeric SMILES

COC(=O)C1=C(NC(=O)NC1C2=CC(=CC=C2)[N+](=O)[O-])CN3CCCCC3

InChI

InChI=1S/C18H22N4O5/c1-27-17(23)15-14(11-21-8-3-2-4-9-21)19-18(24)20-16(15)12-6-5-7-13(10-12)22(25)26/h5-7,10,16H,2-4,8-9,11H2,1H3,(H2,19,20,24)