[(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl] 4-[(2-chlorophenyl)methylamino]-3-nitro-benzoate

Systemtic Name: [(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl] 4-[(2-chlorophenyl)methylamino]-3-nitro-benzoate Openeye Name: [(1S)-2-(ethylamino)-1-methyl-2-oxo-ethyl] 4-[(2-chlorophenyl)methylamino]-3-nitro-benzoate CAS Name: 4-[(2-chlorophenyl)methylamino]-3-nitrobenzoic acid [(2S)-1-(ethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(ethylamino)-1-oxopropan-2-yl] 4-[(2-chlorophenyl)methylamino]-3-nitrobenzoate Traditional Name: 4-[(2-chlorobenzyl)amino]-3-nitro-benzoic acid [(1S)-2-(ethylamino)-2-keto-1-methyl-ethyl] ester Formula: C19H20ClN3O5 MolecularWeight: 405.8322

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C)OC(=O)C1=CC(=C(C=C1)NCC2=CC=CC=C2Cl)[N+](=O)[O-]

Isomeric SMILES

CCNC(=O)[C@H](C)OC(=O)C1=CC(=C(C=C1)NCC2=CC=CC=C2Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H20ClN3O5/c1-3-21-18(24)12(2)28-19(25)13-8-9-16(17(10-13)23(26)27)22-11-14-6-4-5-7-15(14)20/h4-10,12,22H,3,11H2,1-2H3,(H,21,24)/t12-/m0/s1