N-(3-chlorophenyl)-4-(3-methoxy-5-nitro-4-oxidanyl-phenyl)-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide; ethanoic acid

Systemtic Name: N-(3-chlorophenyl)-4-(3-methoxy-5-nitro-4-oxidanyl-phenyl)-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide; ethanoic acid Openeye Name: acetic acid; N-(3-chlorophenyl)-4-(4-hydroxy-3-methoxy-5-nitro-phenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide CAS Name: acetic acid; N-(3-chlorophenyl)-4-(4-hydroxy-3-methoxy-5-nitrophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide IUPAC Name: acetic acid; N-(3-chlorophenyl)-4-(4-hydroxy-3-methoxy-5-nitrophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide Traditional Name: acetic acid; N-(3-chlorophenyl)-4-(4-hydroxy-3-methoxy-5-nitro-phenyl)-2-keto-6-methyl-3,4-dihydro-1H-pyrimidine-5-carboxamide Formula: C21H21ClN4O8 MolecularWeight: 492.86644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1)C2=CC(=C(C(=C2)OC)O)[N+](=O)[O-])C(=O)NC3=CC(=CC=C3)Cl.CC(=O)O

Isomeric SMILES

CC1=C(C(NC(=O)N1)C2=CC(=C(C(=C2)OC)O)[N+](=O)[O-])C(=O)NC3=CC(=CC=C3)Cl.CC(=O)O

InChI

InChI=1S/C19H17ClN4O6.C2H4O2/c1-9-15(18(26)22-12-5-3-4-11(20)8-12)16(23-19(27)21-9)10-6-13(24(28)29)17(25)14(7-10)30-2;1-2(3)4/h3-8,16,25H,1-2H3,(H,22,26)(H2,21,23,27);1H3,(H,3,4)