ethyl 6-[[(E)-3-(4-chloranyl-3-nitro-phenyl)prop-2-enoyl]oxymethyl]-2-oxidanylidene-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 6-[[(E)-3-(4-chloranyl-3-nitro-phenyl)prop-2-enoyl]oxymethyl]-2-oxidanylidene-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[[(E)-3-(4-chloro-3-nitro-phenyl)prop-2-enoyl]oxymethyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[[(E)-3-(4-chloro-3-nitrophenyl)-1-oxoprop-2-enoxy]methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[[(E)-3-(4-chloro-3-nitrophenyl)prop-2-enoyl]oxymethyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-[[(E)-3-(4-chloro-3-nitro-phenyl)acryloyl]oxymethyl]-2-keto-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C23H20ClN3O7 MolecularWeight: 485.8738

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CC=C2)COC(=O)C=CC3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CC=C2)COC(=O)/C=C/C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C23H20ClN3O7/c1-2-33-22(29)20-17(25-23(30)26-21(20)15-6-4-3-5-7-15)13-34-19(28)11-9-14-8-10-16(24)18(12-14)27(31)32/h3-12,21H,2,13H2,1H3,(H2,25,26,30)/b11-9+