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

Systemtic Name: (1S,6S)-4-chloranyl-6-[(4-methyl-2-nitro-phenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: (1S,6S)-4-chloro-6-[(4-methyl-2-nitro-phenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid CAS Name: (1S,6S)-4-chloro-6-[(4-methyl-2-nitroanilino)-oxomethyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: (1S,6S)-4-chloro-6-[(4-methyl-2-nitrophenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: (1S,6S)-4-chloro-6-[(4-methyl-2-nitro-phenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Formula: C15H15ClN2O5 MolecularWeight: 338.743

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C2CC(=CCC2C(=O)O)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)[C@H]2CC(=CC[C@@H]2C(=O)O)Cl)[N+](=O)[O-]

InChI

InChI=1S/C15H15ClN2O5/c1-8-2-5-12(13(6-8)18(22)23)17-14(19)11-7-9(16)3-4-10(11)15(20)21/h2-3,5-6,10-11H,4,7H2,1H3,(H,17,19)(H,20,21)/t10-,11-/m0/s1