1-[2-[(2-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl]cycloheptane-1-carboxylic acid

Systemtic Name: 1-[2-[(2-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl]cycloheptane-1-carboxylic acid Openeye Name: 1-[2-(2-methyl-3-nitro-anilino)-2-oxo-ethyl]cycloheptanecarboxylic acid CAS Name: 1-[2-(2-methyl-3-nitroanilino)-2-oxoethyl]-1-cycloheptanecarboxylic acid IUPAC Name: 1-[2-(2-methyl-3-nitroanilino)-2-oxoethyl]cycloheptane-1-carboxylic acid Traditional Name: 1-[2-keto-2-(2-methyl-3-nitro-anilino)ethyl]cycloheptanecarboxylic acid Formula: C17H22N2O5 MolecularWeight: 334.36698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)CC2(CCCCCC2)C(=O)O

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)CC2(CCCCCC2)C(=O)O

InChI

InChI=1S/C17H22N2O5/c1-12-13(7-6-8-14(12)19(23)24)18-15(20)11-17(16(21)22)9-4-2-3-5-10-17/h6-8H,2-5,9-11H2,1H3,(H,18,20)(H,21,22)