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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)NC(=O)C2CC=CCC2C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CCC1=C(C=C(C=C1)NC(=O)[C@H]2CC=CC[C@H]2C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C16H18N2O5/c1-2-10-7-8-11(9-14(10)18(22)23)17-15(19)12-5-3-4-6-13(12)16(20)21/h3-4,7-9,12-13H,2,5-6H2,1H3,(H,17,19)(H,20,21)/t12-,13+/m0/s1