[2-[2-[(4-nitrophenyl)amino]ethylamino]-2-oxidanylidene-ethyl] 2,5-dimethylbenzoate

Systemtic Name: [2-[2-[(4-nitrophenyl)amino]ethylamino]-2-oxidanylidene-ethyl] 2,5-dimethylbenzoate Openeye Name: [2-[2-(4-nitroanilino)ethylamino]-2-oxo-ethyl] 2,5-dimethylbenzoate CAS Name: 2,5-dimethylbenzoic acid [2-[2-(4-nitroanilino)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-nitroanilino)ethylamino]-2-oxoethyl] 2,5-dimethylbenzoate Traditional Name: 2,5-dimethylbenzoic acid [2-keto-2-[2-(4-nitroanilino)ethylamino]ethyl] ester Formula: C19H21N3O5 MolecularWeight: 371.38714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)OCC(=O)NCCNC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)OCC(=O)NCCNC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O5/c1-13-3-4-14(2)17(11-13)19(24)27-12-18(23)21-10-9-20-15-5-7-16(8-6-15)22(25)26/h3-8,11,20H,9-10,12H2,1-2H3,(H,21,23)