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

Systemtic Name: methyl 6-(benzimidazol-1-ylmethyl)-4-(3-nitrophenyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: methyl 6-(benzimidazol-1-ylmethyl)-4-(3-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-(1-benzimidazolylmethyl)-4-(3-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 6-(benzimidazol-1-ylmethyl)-4-(3-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-(benzimidazol-1-ylmethyl)-2-keto-4-(3-nitrophenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C20H17N5O5 MolecularWeight: 407.37948

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(NC(=O)NC1C2=CC(=CC=C2)[N+](=O)[O-])CN3C=NC4=CC=CC=C43

Isomeric SMILES

COC(=O)C1=C(NC(=O)NC1C2=CC(=CC=C2)[N+](=O)[O-])CN3C=NC4=CC=CC=C43

InChI

InChI=1S/C20H17N5O5/c1-30-19(26)17-15(10-24-11-21-14-7-2-3-8-16(14)24)22-20(27)23-18(17)12-5-4-6-13(9-12)25(28)29/h2-9,11,18H,10H2,1H3,(H2,22,23,27)