[(2R)-1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl] 4-[(2-chlorophenyl)methylamino]-3-nitro-benzoate

Systemtic Name: [(2R)-1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl] 4-[(2-chlorophenyl)methylamino]-3-nitro-benzoate Openeye Name: [(1R)-2-(allylamino)-1-methyl-2-oxo-ethyl] 4-[(2-chlorophenyl)methylamino]-3-nitro-benzoate CAS Name: 4-[(2-chlorophenyl)methylamino]-3-nitrobenzoic acid [(2R)-1-oxo-1-(prop-2-enylamino)propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-(prop-2-enylamino)propan-2-yl] 4-[(2-chlorophenyl)methylamino]-3-nitrobenzoate Traditional Name: 4-[(2-chlorobenzyl)amino]-3-nitro-benzoic acid [(1R)-2-(allylamino)-2-keto-1-methyl-ethyl] ester Formula: C20H20ClN3O5 MolecularWeight: 417.8429

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClN3O5/c1-3-10-22-19(25)13(2)29-20(26)14-8-9-17(18(11-14)24(27)28)23-12-15-6-4-5-7-16(15)21/h3-9,11,13,23H,1,10,12H2,2H3,(H,22,25)/t13-/m1/s1