[2-[2-[ethyl-(3-methylphenyl)amino]ethylamino]-2-oxidanylidene-ethyl] 3-nitrobenzoate

Systemtic Name: [2-[2-[ethyl-(3-methylphenyl)amino]ethylamino]-2-oxidanylidene-ethyl] 3-nitrobenzoate Openeye Name: [2-[2-(N-ethyl-3-methyl-anilino)ethylamino]-2-oxo-ethyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [2-[2-(N-ethyl-3-methylanilino)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(N-ethyl-3-methylanilino)ethylamino]-2-oxoethyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [2-[2-(N-ethyl-3-methyl-anilino)ethylamino]-2-keto-ethyl] ester Formula: C20H23N3O5 MolecularWeight: 385.41372

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCNC(=O)COC(=O)C1=CC(=CC=C1)[N+](=O)[O-])C2=CC=CC(=C2)C

Isomeric SMILES

CCN(CCNC(=O)COC(=O)C1=CC(=CC=C1)[N+](=O)[O-])C2=CC=CC(=C2)C

InChI

InChI=1S/C20H23N3O5/c1-3-22(17-8-4-6-15(2)12-17)11-10-21-19(24)14-28-20(25)16-7-5-9-18(13-16)23(26)27/h4-9,12-13H,3,10-11,14H2,1-2H3,(H,21,24)