ethyl 3-(4-chloranyl-2-nitro-phenyl)carbonyl-2,4-bis(oxidanylidene)-6-phenyl-cyclohexane-1-carboxylate

Systemtic Name: ethyl 3-(4-chloranyl-2-nitro-phenyl)carbonyl-2,4-bis(oxidanylidene)-6-phenyl-cyclohexane-1-carboxylate Openeye Name: ethyl 3-(4-chloro-2-nitro-benzoyl)-2,4-dioxo-6-phenyl-cyclohexanecarboxylate CAS Name: 3-[(4-chloro-2-nitrophenyl)-oxomethyl]-2,4-dioxo-6-phenyl-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(4-chloro-2-nitrobenzoyl)-2,4-dioxo-6-phenylcyclohexane-1-carboxylate Traditional Name: 3-(4-chloro-2-nitro-benzoyl)-2,4-diketo-6-phenyl-cyclohexanecarboxylic acid ethyl ester Formula: C22H18ClNO7 MolecularWeight: 443.83382

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(CC(=O)C(C1=O)C(=O)C2=C(C=C(C=C2)Cl)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1C(CC(=O)C(C1=O)C(=O)C2=C(C=C(C=C2)Cl)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C22H18ClNO7/c1-2-31-22(28)18-15(12-6-4-3-5-7-12)11-17(25)19(21(18)27)20(26)14-9-8-13(23)10-16(14)24(29)30/h3-10,15,18-19H,2,11H2,1H3