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

Systemtic Name: [2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl] 2-(6-ethyl-1-benzofuran-3-yl)ethanoate Openeye Name: [2-(3-nitroanilino)-2-oxo-ethyl] 2-(6-ethylbenzofuran-3-yl)acetate CAS Name: 2-(6-ethyl-3-benzofuranyl)acetic acid [2-(3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-nitroanilino)-2-oxoethyl] 2-(6-ethyl-1-benzofuran-3-yl)acetate Traditional Name: 2-(6-ethylbenzofuran-3-yl)acetic acid [2-keto-2-(3-nitroanilino)ethyl] ester Formula: C20H18N2O6 MolecularWeight: 382.36672

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CO2)CC(=O)OCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CO2)CC(=O)OCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H18N2O6/c1-2-13-6-7-17-14(11-27-18(17)8-13)9-20(24)28-12-19(23)21-15-4-3-5-16(10-15)22(25)26/h3-8,10-11H,2,9,12H2,1H3,(H,21,23)