[(2R)-1-[cyclohexyl(methyl)amino]-1-oxidanylidene-propan-2-yl] 4-(methylamino)-3-nitro-benzoate

Systemtic Name: [(2R)-1-[cyclohexyl(methyl)amino]-1-oxidanylidene-propan-2-yl] 4-(methylamino)-3-nitro-benzoate Openeye Name: [(1R)-2-[cyclohexyl(methyl)amino]-1-methyl-2-oxo-ethyl] 4-(methylamino)-3-nitro-benzoate CAS Name: 4-(methylamino)-3-nitrobenzoic acid [(2R)-1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl] 4-(methylamino)-3-nitrobenzoate Traditional Name: 4-(methylamino)-3-nitro-benzoic acid [(1R)-2-[cyclohexyl(methyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C18H25N3O5 MolecularWeight: 363.4082

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)C1CCCCC1)OC(=O)C2=CC(=C(C=C2)NC)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C(=O)N(C)C1CCCCC1)OC(=O)C2=CC(=C(C=C2)NC)[N+](=O)[O-]

InChI

InChI=1S/C18H25N3O5/c1-12(17(22)20(3)14-7-5-4-6-8-14)26-18(23)13-9-10-15(19-2)16(11-13)21(24)25/h9-12,14,19H,4-8H2,1-3H3/t12-/m1/s1