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

Systemtic Name: (1S,6S)-6-[(4-ethoxy-2-nitro-phenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: (1S,6S)-6-[(4-ethoxy-2-nitro-phenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid CAS Name: (1S,6S)-6-[(4-ethoxy-2-nitroanilino)-oxomethyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: (1S,6S)-6-[(4-ethoxy-2-nitrophenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: (1S,6S)-6-[(4-ethoxy-2-nitro-phenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Formula: C16H18N2O6 MolecularWeight: 334.32392

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)NC(=O)C2CC=CCC2C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC(=C(C=C1)NC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C16H18N2O6/c1-2-24-10-7-8-13(14(9-10)18(22)23)17-15(19)11-5-3-4-6-12(11)16(20)21/h3-4,7-9,11-12H,2,5-6H2,1H3,(H,17,19)(H,20,21)/t11-,12-/m0/s1