[2-[2-[(4-nitrophenyl)amino]ethylamino]-2-oxidanylidene-ethyl] 3,5-dimethoxybenzoate

Systemtic Name: [2-[2-[(4-nitrophenyl)amino]ethylamino]-2-oxidanylidene-ethyl] 3,5-dimethoxybenzoate Openeye Name: [2-[2-(4-nitroanilino)ethylamino]-2-oxo-ethyl] 3,5-dimethoxybenzoate CAS Name: 3,5-dimethoxybenzoic acid [2-[2-(4-nitroanilino)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-nitroanilino)ethylamino]-2-oxoethyl] 3,5-dimethoxybenzoate Traditional Name: 3,5-dimethoxybenzoic acid [2-keto-2-[2-(4-nitroanilino)ethylamino]ethyl] ester Formula: C19H21N3O7 MolecularWeight: 403.38594

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C(=O)OCC(=O)NCCNC2=CC=C(C=C2)[N+](=O)[O-])OC

Isomeric SMILES

COC1=CC(=CC(=C1)C(=O)OCC(=O)NCCNC2=CC=C(C=C2)[N+](=O)[O-])OC

InChI

InChI=1S/C19H21N3O7/c1-27-16-9-13(10-17(11-16)28-2)19(24)29-12-18(23)21-8-7-20-14-3-5-15(6-4-14)22(25)26/h3-6,9-11,20H,7-8,12H2,1-2H3,(H,21,23)