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

Systemtic Name: ethyl 6-(benzimidazol-1-ylmethyl)-4-(4-nitrophenyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-(benzimidazol-1-ylmethyl)-4-(4-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-(1-benzimidazolylmethyl)-4-(4-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(benzimidazol-1-ylmethyl)-4-(4-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-(benzimidazol-1-ylmethyl)-2-keto-4-(4-nitrophenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C21H19N5O5 MolecularWeight: 421.40606

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N5O5/c1-2-31-20(27)18-16(11-25-12-22-15-5-3-4-6-17(15)25)23-21(28)24-19(18)13-7-9-14(10-8-13)26(29)30/h3-10,12,19H,2,11H2,1H3,(H2,23,24,28)