[2-[2-[(4-nitrophenyl)amino]ethylamino]-2-oxidanylidene-ethyl] 2-(6-methyl-1-benzofuran-3-yl)ethanoate

Systemtic Name: [2-[2-[(4-nitrophenyl)amino]ethylamino]-2-oxidanylidene-ethyl] 2-(6-methyl-1-benzofuran-3-yl)ethanoate Openeye Name: [2-[2-(4-nitroanilino)ethylamino]-2-oxo-ethyl] 2-(6-methylbenzofuran-3-yl)acetate CAS Name: 2-(6-methyl-3-benzofuranyl)acetic acid [2-[2-(4-nitroanilino)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-nitroanilino)ethylamino]-2-oxoethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate Traditional Name: 2-(6-methylbenzofuran-3-yl)acetic acid [2-keto-2-[2-(4-nitroanilino)ethylamino]ethyl] ester Formula: C21H21N3O6 MolecularWeight: 411.40794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CO2)CC(=O)OCC(=O)NCCNC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CO2)CC(=O)OCC(=O)NCCNC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O6/c1-14-2-7-18-15(12-29-19(18)10-14)11-21(26)30-13-20(25)23-9-8-22-16-3-5-17(6-4-16)24(27)28/h2-7,10,12,22H,8-9,11,13H2,1H3,(H,23,25)