[2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl] 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: [2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl] 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate Openeye Name: [2-(4-nitroanilino)-2-oxo-ethyl] 5-ethoxy-3-methyl-benzofuran-2-carboxylate CAS Name: 5-ethoxy-3-methyl-2-benzofurancarboxylic acid [2-(4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-nitroanilino)-2-oxoethyl] 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-ethoxy-3-methyl-coumarilic acid [2-keto-2-(4-nitroanilino)ethyl] ester Formula: C20H18N2O7 MolecularWeight: 398.36612

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)OC(=C2C)C(=O)OCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC2=C(C=C1)OC(=C2C)C(=O)OCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H18N2O7/c1-3-27-15-8-9-17-16(10-15)12(2)19(29-17)20(24)28-11-18(23)21-13-4-6-14(7-5-13)22(25)26/h4-10H,3,11H2,1-2H3,(H,21,23)