(1R,6S)-6-[(2-methyl-5-nitro-phenyl)carbamoyl]cyclohex-3-ene-1-carboxylate

Systemtic Name: (1R,6S)-6-[(2-methyl-5-nitro-phenyl)carbamoyl]cyclohex-3-ene-1-carboxylate Openeye Name: (1R,6S)-6-[(2-methyl-5-nitro-phenyl)carbamoyl]cyclohex-3-ene-1-carboxylate CAS Name: (1R,6S)-6-[(2-methyl-5-nitroanilino)-oxomethyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1R,6S)-6-[(2-methyl-5-nitrophenyl)carbamoyl]cyclohex-3-ene-1-carboxylate Traditional Name: (1R,6S)-6-[(2-methyl-5-nitro-phenyl)carbamoyl]cyclohex-3-ene-1-carboxylate Formula: C15H15N2O5- MolecularWeight: 303.29

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16N2O5/c1-9-6-7-10(17(21)22)8-13(9)16-14(18)11-4-2-3-5-12(11)15(19)20/h2-3,6-8,11-12H,4-5H2,1H3,(H,16,18)(H,19,20)/p-1/t11-,12+/m0/s1