methyl 4-[(2-chloranyl-4-nitro-phenoxy)methyl]-3-cyclopropyl-2-oxidanylidene-6-phenyl-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: methyl 4-[(2-chloranyl-4-nitro-phenoxy)methyl]-3-cyclopropyl-2-oxidanylidene-6-phenyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl 4-[(2-chloro-4-nitro-phenoxy)methyl]-3-cyclopropyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate CAS Name: 4-[(2-chloro-4-nitrophenoxy)methyl]-3-cyclopropyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 4-[(2-chloro-4-nitrophenoxy)methyl]-3-cyclopropyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 4-[(2-chloro-4-nitro-phenoxy)methyl]-3-cyclopropyl-2-keto-6-phenyl-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C22H20ClN3O6 MolecularWeight: 457.8637

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N(C(=O)NC1C2=CC=CC=C2)C3CC3)COC4=C(C=C(C=C4)[N+](=O)[O-])Cl

Isomeric SMILES

COC(=O)C1=C(N(C(=O)NC1C2=CC=CC=C2)C3CC3)COC4=C(C=C(C=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C22H20ClN3O6/c1-31-21(27)19-17(12-32-18-10-9-15(26(29)30)11-16(18)23)25(14-7-8-14)22(28)24-20(19)13-5-3-2-4-6-13/h2-6,9-11,14,20H,7-8,12H2,1H3,(H,24,28)