(1S,6S)-4-chloranyl-6-[(2-methoxy-5-nitro-phenyl)carbamoyl]cyclohex-3-ene-1-carboxylate

Systemtic Name: (1S,6S)-4-chloranyl-6-[(2-methoxy-5-nitro-phenyl)carbamoyl]cyclohex-3-ene-1-carboxylate Openeye Name: (1S,6S)-4-chloro-6-[(2-methoxy-5-nitro-phenyl)carbamoyl]cyclohex-3-ene-1-carboxylate CAS Name: (1S,6S)-4-chloro-6-[(2-methoxy-5-nitroanilino)-oxomethyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1S,6S)-4-chloro-6-[(2-methoxy-5-nitrophenyl)carbamoyl]cyclohex-3-ene-1-carboxylate Traditional Name: (1S,6S)-4-chloro-6-[(2-methoxy-5-nitro-phenyl)carbamoyl]cyclohex-3-ene-1-carboxylate Formula: C15H14ClN2O6- MolecularWeight: 353.73446

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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)[C@H]2CC(=CC[C@@H]2C(=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)/p-1/t10-,11-/m0/s1