[2-[(4-butan-2-ylphenyl)amino]-2-oxidanylidene-ethyl] 5-(4-nitrophenyl)furan-2-carboxylate

Systemtic Name: [2-[(4-butan-2-ylphenyl)amino]-2-oxidanylidene-ethyl] 5-(4-nitrophenyl)furan-2-carboxylate Openeye Name: [2-oxo-2-(4-sec-butylanilino)ethyl] 5-(4-nitrophenyl)furan-2-carboxylate CAS Name: 5-(4-nitrophenyl)-2-furancarboxylic acid [2-(4-butan-2-ylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-butan-2-ylanilino)-2-oxoethyl] 5-(4-nitrophenyl)furan-2-carboxylate Traditional Name: 5-(4-nitrophenyl)furan-2-carboxylic acid [2-keto-2-(4-sec-butylanilino)ethyl] ester Formula: C23H22N2O6 MolecularWeight: 422.43058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)NC(=O)COC(=O)C2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)NC(=O)COC(=O)C2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H22N2O6/c1-3-15(2)16-4-8-18(9-5-16)24-22(26)14-30-23(27)21-13-12-20(31-21)17-6-10-19(11-7-17)25(28)29/h4-13,15H,3,14H2,1-2H3,(H,24,26)