(1S,6R)-6-[[4-nitro-2-(phenylcarbonyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid

Systemtic Name: (1S,6R)-6-[[4-nitro-2-(phenylcarbonyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: (1S,6R)-6-[(2-benzoyl-4-nitro-phenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid CAS Name: (1S,6R)-6-[(2-benzoyl-4-nitroanilino)-oxomethyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: (1S,6R)-6-[(2-benzoyl-4-nitrophenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: (1S,6R)-6-[(2-benzoyl-4-nitro-phenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Formula: C21H18N2O6 MolecularWeight: 394.37742

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC(C1C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1C=CC[C@@H]([C@@H]1C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C21H18N2O6/c24-19(13-6-2-1-3-7-13)17-12-14(23(28)29)10-11-18(17)22-20(25)15-8-4-5-9-16(15)21(26)27/h1-7,10-12,15-16H,8-9H2,(H,22,25)(H,26,27)/t15-,16+/m1/s1