3,4-dimethyl-6-[(3-nitrophenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid

Systemtic Name: 3,4-dimethyl-6-[(3-nitrophenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: 3,4-dimethyl-6-[(3-nitrophenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid CAS Name: 3,4-dimethyl-6-[(3-nitroanilino)-oxomethyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: 3,4-dimethyl-6-[(3-nitrophenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: 3,4-dimethyl-6-[(3-nitrophenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Formula: C16H18N2O5 MolecularWeight: 318.32452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC(C(C1)C(=O)NC2=CC(=CC=C2)[N+](=O)[O-])C(=O)O)C

Isomeric SMILES

CC1=C(CC(C(C1)C(=O)NC2=CC(=CC=C2)[N+](=O)[O-])C(=O)O)C

InChI

InChI=1S/C16H18N2O5/c1-9-6-13(14(16(20)21)7-10(9)2)15(19)17-11-4-3-5-12(8-11)18(22)23/h3-5,8,13-14H,6-7H2,1-2H3,(H,17,19)(H,20,21)