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

Systemtic Name: [2-[2-[(4-nitrophenyl)amino]ethylamino]-2-oxidanylidene-ethyl] 3-methyl-1-benzofuran-2-carboxylate Openeye Name: [2-[2-(4-nitroanilino)ethylamino]-2-oxo-ethyl] 3-methylbenzofuran-2-carboxylate CAS Name: 3-methyl-2-benzofurancarboxylic acid [2-[2-(4-nitroanilino)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-nitroanilino)ethylamino]-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate Traditional Name: 3-methylcoumarilic acid [2-keto-2-[2-(4-nitroanilino)ethylamino]ethyl] ester Formula: C20H19N3O6 MolecularWeight: 397.38136

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=CC=CC=C12)C(=O)OCC(=O)NCCNC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(OC2=CC=CC=C12)C(=O)OCC(=O)NCCNC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H19N3O6/c1-13-16-4-2-3-5-17(16)29-19(13)20(25)28-12-18(24)22-11-10-21-14-6-8-15(9-7-14)23(26)27/h2-9,21H,10-12H2,1H3,(H,22,24)