[2-[2-[ethyl-(3-methylphenyl)amino]ethylamino]-2-oxidanylidene-ethyl] 2-methyl-3-nitro-benzoate

Systemtic Name: [2-[2-[ethyl-(3-methylphenyl)amino]ethylamino]-2-oxidanylidene-ethyl] 2-methyl-3-nitro-benzoate Openeye Name: [2-[2-(N-ethyl-3-methyl-anilino)ethylamino]-2-oxo-ethyl] 2-methyl-3-nitro-benzoate CAS Name: 2-methyl-3-nitrobenzoic acid [2-[2-(N-ethyl-3-methylanilino)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(N-ethyl-3-methylanilino)ethylamino]-2-oxoethyl] 2-methyl-3-nitrobenzoate Traditional Name: 2-methyl-3-nitro-benzoic acid [2-[2-(N-ethyl-3-methyl-anilino)ethylamino]-2-keto-ethyl] ester Formula: C21H25N3O5 MolecularWeight: 399.4403

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O5/c1-4-23(17-8-5-7-15(2)13-17)12-11-22-20(25)14-29-21(26)18-9-6-10-19(16(18)3)24(27)28/h5-10,13H,4,11-12,14H2,1-3H3,(H,22,25)