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

Systemtic Name: (1S,6S)-4-chloranyl-6-[(4-methyl-3-nitro-phenyl)carbamoyl]cyclohex-3-ene-1-carboxylate Openeye Name: (1S,6S)-4-chloro-6-[(4-methyl-3-nitro-phenyl)carbamoyl]cyclohex-3-ene-1-carboxylate CAS Name: (1S,6S)-4-chloro-6-[(4-methyl-3-nitroanilino)-oxomethyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1S,6S)-4-chloro-6-[(4-methyl-3-nitrophenyl)carbamoyl]cyclohex-3-ene-1-carboxylate Traditional Name: (1S,6S)-4-chloro-6-[(4-methyl-3-nitro-phenyl)carbamoyl]cyclohex-3-ene-1-carboxylate Formula: C15H14ClN2O5- MolecularWeight: 337.73506

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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)[C@H]2CC(=CC[C@@H]2C(=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)/p-1/t11-,12-/m0/s1