[2-[(4-methoxy-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate

Systemtic Name: [2-[(4-methoxy-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate Openeye Name: [2-(4-methoxy-2-nitro-anilino)-2-oxo-ethyl] 3-(methoxymethyl)benzofuran-2-carboxylate CAS Name: 3-(methoxymethyl)-2-benzofurancarboxylic acid [2-(4-methoxy-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methoxy-2-nitroanilino)-2-oxoethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-(methoxymethyl)coumarilic acid [2-keto-2-(4-methoxy-2-nitro-anilino)ethyl] ester Formula: C20H18N2O8 MolecularWeight: 414.36552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCC1=C(OC2=CC=CC=C21)C(=O)OCC(=O)NC3=C(C=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

COCC1=C(OC2=CC=CC=C21)C(=O)OCC(=O)NC3=C(C=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H18N2O8/c1-27-10-14-13-5-3-4-6-17(13)30-19(14)20(24)29-11-18(23)21-15-8-7-12(28-2)9-16(15)22(25)26/h3-9H,10-11H2,1-2H3,(H,21,23)