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

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

Isomeric SMILES

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

InChI

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