4-chloranyl-6-[(2-methoxy-5-nitro-phenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid

Systemtic Name: 4-chloranyl-6-[(2-methoxy-5-nitro-phenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: 4-chloro-6-[(2-methoxy-5-nitro-phenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid CAS Name: 4-chloro-6-[(2-methoxy-5-nitroanilino)-oxomethyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: 4-chloro-6-[(2-methoxy-5-nitrophenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: 4-chloro-6-[(2-methoxy-5-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=C(C=C1)[N+](=O)[O-])NC(=O)C2CC(=CCC2C(=O)O)Cl

Isomeric SMILES

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

InChI

InChI=1S/C15H15ClN2O6/c1-24-13-5-3-9(18(22)23)7-12(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)