[2-(cyclohexylamino)-2-oxidanylidene-ethyl] 4-methyl-3-nitro-benzoate

Systemtic Name: [2-(cyclohexylamino)-2-oxidanylidene-ethyl] 4-methyl-3-nitro-benzoate Openeye Name: [2-(cyclohexylamino)-2-oxo-ethyl] 4-methyl-3-nitro-benzoate CAS Name: 4-methyl-3-nitrobenzoic acid [2-(cyclohexylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclohexylamino)-2-oxoethyl] 4-methyl-3-nitrobenzoate Traditional Name: 4-methyl-3-nitro-benzoic acid [2-(cyclohexylamino)-2-keto-ethyl] ester Formula: C16H20N2O5 MolecularWeight: 320.3404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC(=O)NC2CCCCC2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC(=O)NC2CCCCC2)[N+](=O)[O-]

InChI

InChI=1S/C16H20N2O5/c1-11-7-8-12(9-14(11)18(21)22)16(20)23-10-15(19)17-13-5-3-2-4-6-13/h7-9,13H,2-6,10H2,1H3,(H,17,19)