[2-[cyclohexyl(methyl)amino]-2-oxidanylidene-ethyl] 4-(dimethylamino)-3-nitro-benzoate

Systemtic Name: [2-[cyclohexyl(methyl)amino]-2-oxidanylidene-ethyl] 4-(dimethylamino)-3-nitro-benzoate Openeye Name: [2-[cyclohexyl(methyl)amino]-2-oxo-ethyl] 4-(dimethylamino)-3-nitro-benzoate CAS Name: 4-(dimethylamino)-3-nitrobenzoic acid [2-[cyclohexyl(methyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 4-(dimethylamino)-3-nitrobenzoate Traditional Name: 4-(dimethylamino)-3-nitro-benzoic acid [2-[cyclohexyl(methyl)amino]-2-keto-ethyl] ester Formula: C18H25N3O5 MolecularWeight: 363.4082

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)C(=O)OCC(=O)N(C)C2CCCCC2)[N+](=O)[O-]

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)C(=O)OCC(=O)N(C)C2CCCCC2)[N+](=O)[O-]

InChI

InChI=1S/C18H25N3O5/c1-19(2)15-10-9-13(11-16(15)21(24)25)18(23)26-12-17(22)20(3)14-7-5-4-6-8-14/h9-11,14H,4-8,12H2,1-3H3