[2-[3-[methyl(phenyl)amino]propylamino]-2-oxidanylidene-ethyl] 2-chloranyl-4-nitro-benzoate

Systemtic Name: [2-[3-[methyl(phenyl)amino]propylamino]-2-oxidanylidene-ethyl] 2-chloranyl-4-nitro-benzoate Openeye Name: [2-[3-(N-methylanilino)propylamino]-2-oxo-ethyl] 2-chloro-4-nitro-benzoate CAS Name: 2-chloro-4-nitrobenzoic acid [2-[3-(N-methylanilino)propylamino]-2-oxoethyl] ester IUPAC Name: [2-[3-(N-methylanilino)propylamino]-2-oxoethyl] 2-chloro-4-nitrobenzoate Traditional Name: 2-chloro-4-nitro-benzoic acid [2-keto-2-[3-(N-methylanilino)propylamino]ethyl] ester Formula: C19H20ClN3O5 MolecularWeight: 405.8322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CCCNC(=O)COC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])Cl)C2=CC=CC=C2

Isomeric SMILES

CN(CCCNC(=O)COC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])Cl)C2=CC=CC=C2

InChI

InChI=1S/C19H20ClN3O5/c1-22(14-6-3-2-4-7-14)11-5-10-21-18(24)13-28-19(25)16-9-8-15(23(26)27)12-17(16)20/h2-4,6-9,12H,5,10-11,13H2,1H3,(H,21,24)