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

Systemtic Name: [(2S)-1-[cyclohexyl(ethyl)amino]-1-oxidanylidene-propan-2-yl] 4-(methylamino)-3-nitro-benzoate Openeye Name: [(1S)-2-[cyclohexyl(ethyl)amino]-1-methyl-2-oxo-ethyl] 4-(methylamino)-3-nitro-benzoate CAS Name: 4-(methylamino)-3-nitrobenzoic acid [(2S)-1-[cyclohexyl(ethyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[cyclohexyl(ethyl)amino]-1-oxopropan-2-yl] 4-(methylamino)-3-nitrobenzoate Traditional Name: 4-(methylamino)-3-nitro-benzoic acid [(1S)-2-[cyclohexyl(ethyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C19H27N3O5 MolecularWeight: 377.43478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27N3O5/c1-4-21(15-8-6-5-7-9-15)18(23)13(2)27-19(24)14-10-11-16(20-3)17(12-14)22(25)26/h10-13,15,20H,4-9H2,1-3H3/t13-/m0/s1