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

Systemtic Name: (1S,6S)-4-chloranyl-6-[(2-methoxy-4-nitro-phenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: (1S,6S)-4-chloro-6-[(2-methoxy-4-nitro-phenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid CAS Name: (1S,6S)-4-chloro-6-[(2-methoxy-4-nitroanilino)-oxomethyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: (1S,6S)-4-chloro-6-[(2-methoxy-4-nitrophenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: (1S,6S)-4-chloro-6-[(2-methoxy-4-nitro-phenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Formula: C15H15ClN2O6 MolecularWeight: 354.7424

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C2CC(=CCC2C(=O)O)Cl

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)[C@H]2CC(=CC[C@@H]2C(=O)O)Cl

InChI

InChI=1S/C15H15ClN2O6/c1-24-13-7-9(18(22)23)3-5-12(13)17-14(19)11-6-8(16)2-4-10(11)15(20)21/h2-3,5,7,10-11H,4,6H2,1H3,(H,17,19)(H,20,21)/t10-,11-/m0/s1