[2-[3-[methyl(phenyl)amino]propylamino]-2-oxidanylidene-ethyl] 3-nitrobenzoate

Systemtic Name: [2-[3-[methyl(phenyl)amino]propylamino]-2-oxidanylidene-ethyl] 3-nitrobenzoate Openeye Name: [2-[3-(N-methylanilino)propylamino]-2-oxo-ethyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [2-[3-(N-methylanilino)propylamino]-2-oxoethyl] ester IUPAC Name: [2-[3-(N-methylanilino)propylamino]-2-oxoethyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [2-keto-2-[3-(N-methylanilino)propylamino]ethyl] ester Formula: C19H21N3O5 MolecularWeight: 371.38714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O5/c1-21(16-8-3-2-4-9-16)12-6-11-20-18(23)14-27-19(24)15-7-5-10-17(13-15)22(25)26/h2-5,7-10,13H,6,11-12,14H2,1H3,(H,20,23)