methyl 4-[4-(3-chlorophenyl)-3-nitro-phenyl]-2,6-dimethyl-1,4-dihydropyrimidine-5-carboxylate

Systemtic Name: methyl 4-[4-(3-chlorophenyl)-3-nitro-phenyl]-2,6-dimethyl-1,4-dihydropyrimidine-5-carboxylate Openeye Name: methyl 4-[4-(3-chlorophenyl)-3-nitro-phenyl]-2,6-dimethyl-1,4-dihydropyrimidine-5-carboxylate CAS Name: 4-[4-(3-chlorophenyl)-3-nitrophenyl]-2,6-dimethyl-1,4-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 4-[4-(3-chlorophenyl)-3-nitrophenyl]-2,6-dimethyl-1,4-dihydropyrimidine-5-carboxylate Traditional Name: 4-[4-(3-chlorophenyl)-3-nitro-phenyl]-2,6-dimethyl-1,4-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C20H18ClN3O4 MolecularWeight: 399.82762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18ClN3O4/c1-11-18(20(25)28-3)19(23-12(2)22-11)14-7-8-16(17(10-14)24(26)27)13-5-4-6-15(21)9-13/h4-10,19H,1-3H3,(H,22,23)