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

Systemtic Name: ethyl 6-[(cyclohexylamino)methyl]-4-(3-nitrophenyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[(cyclohexylamino)methyl]-4-(3-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[(cyclohexylamino)methyl]-4-(3-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[(cyclohexylamino)methyl]-4-(3-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-[(cyclohexylamino)methyl]-2-keto-4-(3-nitrophenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C20H26N4O5 MolecularWeight: 402.44424

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC(=CC=C2)[N+](=O)[O-])CNC3CCCCC3

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1C2=CC(=CC=C2)[N+](=O)[O-])CNC3CCCCC3

InChI

InChI=1S/C20H26N4O5/c1-2-29-19(25)17-16(12-21-14-8-4-3-5-9-14)22-20(26)23-18(17)13-7-6-10-15(11-13)24(27)28/h6-7,10-11,14,18,21H,2-5,8-9,12H2,1H3,(H2,22,23,26)