1-[2-[(2-methoxy-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl]cycloheptane-1-carboxylic acid

Systemtic Name: 1-[2-[(2-methoxy-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl]cycloheptane-1-carboxylic acid Openeye Name: 1-[2-(2-methoxy-5-nitro-anilino)-2-oxo-ethyl]cycloheptanecarboxylic acid CAS Name: 1-[2-(2-methoxy-5-nitroanilino)-2-oxoethyl]-1-cycloheptanecarboxylic acid IUPAC Name: 1-[2-(2-methoxy-5-nitroanilino)-2-oxoethyl]cycloheptane-1-carboxylic acid Traditional Name: 1-[2-keto-2-(2-methoxy-5-nitro-anilino)ethyl]cycloheptanecarboxylic acid Formula: C17H22N2O6 MolecularWeight: 350.36638

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CC2(CCCCCC2)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CC2(CCCCCC2)C(=O)O

InChI

InChI=1S/C17H22N2O6/c1-25-14-7-6-12(19(23)24)10-13(14)18-15(20)11-17(16(21)22)8-4-2-3-5-9-17/h6-7,10H,2-5,8-9,11H2,1H3,(H,18,20)(H,21,22)