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

Systemtic Name: (1S,6S)-4-chloranyl-6-[(2-methyl-4-nitro-phenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: (1S,6S)-4-chloro-6-[(2-methyl-4-nitro-phenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid CAS Name: (1S,6S)-4-chloro-6-[(2-methyl-4-nitroanilino)-oxomethyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: (1S,6S)-4-chloro-6-[(2-methyl-4-nitrophenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: (1S,6S)-4-chloro-6-[(2-methyl-4-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=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C2CC(=CCC2C(=O)O)Cl

Isomeric SMILES

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

InChI

InChI=1S/C15H15ClN2O5/c1-8-6-10(18(22)23)3-5-13(8)17-14(19)12-7-9(16)2-4-11(12)15(20)21/h2-3,5-6,11-12H,4,7H2,1H3,(H,17,19)(H,20,21)/t11-,12-/m0/s1