4-methyl-6-(4-nitrophenyl)-1-[(phenylmethyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid

Systemtic Name: 4-methyl-6-(4-nitrophenyl)-1-[(phenylmethyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: 1-(benzylcarbamoyl)-4-methyl-6-(4-nitrophenyl)cyclohex-3-ene-1-carboxylic acid CAS Name: 4-methyl-6-(4-nitrophenyl)-1-[oxo-[(phenylmethyl)amino]methyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: 1-(benzylcarbamoyl)-4-methyl-6-(4-nitrophenyl)cyclohex-3-ene-1-carboxylic acid Traditional Name: 1-(benzylcarbamoyl)-4-methyl-6-(4-nitrophenyl)cyclohex-3-ene-1-carboxylic acid Formula: C22H22N2O5 MolecularWeight: 394.42048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CCC(C(C1)C2=CC=C(C=C2)[N+](=O)[O-])(C(=O)NCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC1=CCC(C(C1)C2=CC=C(C=C2)[N+](=O)[O-])(C(=O)NCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C22H22N2O5/c1-15-11-12-22(21(26)27,20(25)23-14-16-5-3-2-4-6-16)19(13-15)17-7-9-18(10-8-17)24(28)29/h2-11,19H,12-14H2,1H3,(H,23,25)(H,26,27)