(1R,2S)-2-[(4-ethoxy-2-nitro-phenyl)carbamoyl]cyclohexane-1-carboxylate

Systemtic Name: (1R,2S)-2-[(4-ethoxy-2-nitro-phenyl)carbamoyl]cyclohexane-1-carboxylate Openeye Name: (1R,2S)-2-[(4-ethoxy-2-nitro-phenyl)carbamoyl]cyclohexanecarboxylate CAS Name: (1R,2S)-2-[(4-ethoxy-2-nitroanilino)-oxomethyl]-1-cyclohexanecarboxylate IUPAC Name: (1R,2S)-2-[(4-ethoxy-2-nitrophenyl)carbamoyl]cyclohexane-1-carboxylate Traditional Name: (1R,2S)-2-[(4-ethoxy-2-nitro-phenyl)carbamoyl]cyclohexanecarboxylate Formula: C16H19N2O6- MolecularWeight: 335.33186

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)NC(=O)C2CCCCC2C(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC(=C(C=C1)NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H20N2O6/c1-2-24-10-7-8-13(14(9-10)18(22)23)17-15(19)11-5-3-4-6-12(11)16(20)21/h7-9,11-12H,2-6H2,1H3,(H,17,19)(H,20,21)/p-1/t11-,12+/m0/s1