ethyl 4-[(2-chloranylphenoxy)methyl]-3-methyl-6-(3-nitrophenyl)-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[(2-chloranylphenoxy)methyl]-3-methyl-6-(3-nitrophenyl)-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 4-[(2-chlorophenoxy)methyl]-3-methyl-6-(3-nitrophenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 4-[(2-chlorophenoxy)methyl]-3-methyl-6-(3-nitrophenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2-chlorophenoxy)methyl]-3-methyl-6-(3-nitrophenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 4-[(2-chlorophenoxy)methyl]-2-keto-3-methyl-6-(3-nitrophenyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C21H20ClN3O6 MolecularWeight: 445.853

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=O)NC1C2=CC(=CC=C2)[N+](=O)[O-])C)COC3=CC=CC=C3Cl

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)NC1C2=CC(=CC=C2)[N+](=O)[O-])C)COC3=CC=CC=C3Cl

InChI

InChI=1S/C21H20ClN3O6/c1-3-30-20(26)18-16(12-31-17-10-5-4-9-15(17)22)24(2)21(27)23-19(18)13-7-6-8-14(11-13)25(28)29/h4-11,19H,3,12H2,1-2H3,(H,23,27)