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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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