1-[2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl]cycloheptane-1-carboxylic acid

Systemtic Name: 1-[2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl]cycloheptane-1-carboxylic acid Openeye Name: 1-[2-(3-nitroanilino)-2-oxo-ethyl]cycloheptanecarboxylic acid CAS Name: 1-[2-(3-nitroanilino)-2-oxoethyl]-1-cycloheptanecarboxylic acid IUPAC Name: 1-[2-(3-nitroanilino)-2-oxoethyl]cycloheptane-1-carboxylic acid Traditional Name: 1-[2-keto-2-(3-nitroanilino)ethyl]cycloheptanecarboxylic acid Formula: C16H20N2O5 MolecularWeight: 320.3404

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)(CC(=O)NC2=CC(=CC=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1CCCC(CC1)(CC(=O)NC2=CC(=CC=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C16H20N2O5/c19-14(17-12-6-5-7-13(10-12)18(22)23)11-16(15(20)21)8-3-1-2-4-9-16/h5-7,10H,1-4,8-9,11H2,(H,17,19)(H,20,21)