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

Systemtic Name: [(2S)-1-[ethyl(phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(dimethylamino)-3-nitro-benzoate Openeye Name: [(1S)-2-(N-ethylanilino)-1-methyl-2-oxo-ethyl] 4-(dimethylamino)-3-nitro-benzoate CAS Name: 4-(dimethylamino)-3-nitrobenzoic acid [(2S)-1-(N-ethylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(N-ethylanilino)-1-oxopropan-2-yl] 4-(dimethylamino)-3-nitrobenzoate Traditional Name: 4-(dimethylamino)-3-nitro-benzoic acid [(1S)-2-(N-ethylanilino)-2-keto-1-methyl-ethyl] ester Formula: C20H23N3O5 MolecularWeight: 385.41372

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1)C(=O)C(C)OC(=O)C2=CC(=C(C=C2)N(C)C)[N+](=O)[O-]

Isomeric SMILES

CCN(C1=CC=CC=C1)C(=O)[C@H](C)OC(=O)C2=CC(=C(C=C2)N(C)C)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O5/c1-5-22(16-9-7-6-8-10-16)19(24)14(2)28-20(25)15-11-12-17(21(3)4)18(13-15)23(26)27/h6-14H,5H2,1-4H3/t14-/m0/s1