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

Systemtic Name: [2-[2-[(4-nitrophenyl)amino]ethylamino]-2-oxidanylidene-ethyl] 2-(6-oxidanyl-1-benzofuran-3-yl)ethanoate Openeye Name: [2-[2-(4-nitroanilino)ethylamino]-2-oxo-ethyl] 2-(6-hydroxybenzofuran-3-yl)acetate CAS Name: 2-(6-hydroxy-3-benzofuranyl)acetic acid [2-[2-(4-nitroanilino)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-nitroanilino)ethylamino]-2-oxoethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate Traditional Name: 2-(6-hydroxybenzofuran-3-yl)acetic acid [2-keto-2-[2-(4-nitroanilino)ethylamino]ethyl] ester Formula: C20H19N3O7 MolecularWeight: 413.38076

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NCCNC(=O)COC(=O)CC2=COC3=C2C=CC(=C3)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1NCCNC(=O)COC(=O)CC2=COC3=C2C=CC(=C3)O)[N+](=O)[O-]

InChI

InChI=1S/C20H19N3O7/c24-16-5-6-17-13(11-29-18(17)10-16)9-20(26)30-12-19(25)22-8-7-21-14-1-3-15(4-2-14)23(27)28/h1-6,10-11,21,24H,7-9,12H2,(H,22,25)