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

Systemtic Name: methyl 4-(3-nitrophenyl)-2-oxidanylidene-6-(pyrrolidin-1-ylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: methyl 4-(3-nitrophenyl)-2-oxo-6-(pyrrolidin-1-ylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(3-nitrophenyl)-2-oxo-6-(1-pyrrolidinylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 4-(3-nitrophenyl)-2-oxo-6-(pyrrolidin-1-ylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 2-keto-4-(3-nitrophenyl)-6-(pyrrolidinomethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C17H20N4O5 MolecularWeight: 360.3645

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(NC(=O)NC1C2=CC(=CC=C2)[N+](=O)[O-])CN3CCCC3

Isomeric SMILES

COC(=O)C1=C(NC(=O)NC1C2=CC(=CC=C2)[N+](=O)[O-])CN3CCCC3

InChI

InChI=1S/C17H20N4O5/c1-26-16(22)14-13(10-20-7-2-3-8-20)18-17(23)19-15(14)11-5-4-6-12(9-11)21(24)25/h4-6,9,15H,2-3,7-8,10H2,1H3,(H2,18,19,23)