ethyl 4-(4-ethanoylpiperazin-1-yl)-3-[[5-(2-nitrophenyl)furan-2-yl]carbonylamino]benzoate

Systemtic Name: ethyl 4-(4-ethanoylpiperazin-1-yl)-3-[[5-(2-nitrophenyl)furan-2-yl]carbonylamino]benzoate Openeye Name: ethyl 4-(4-acetylpiperazin-1-yl)-3-[[5-(2-nitrophenyl)furan-2-carbonyl]amino]benzoate CAS Name: 4-(4-acetyl-1-piperazinyl)-3-[[[5-(2-nitrophenyl)-2-furanyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-(4-acetylpiperazin-1-yl)-3-[[5-(2-nitrophenyl)furan-2-carbonyl]amino]benzoate Traditional Name: 4-(4-acetylpiperazino)-3-[[5-(2-nitrophenyl)-2-furoyl]amino]benzoic acid ethyl ester Formula: C26H26N4O7 MolecularWeight: 506.50724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C)NC(=O)C3=CC=C(O3)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C)NC(=O)C3=CC=C(O3)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C26H26N4O7/c1-3-36-26(33)18-8-9-22(29-14-12-28(13-15-29)17(2)31)20(16-18)27-25(32)24-11-10-23(37-24)19-6-4-5-7-21(19)30(34)35/h4-11,16H,3,12-15H2,1-2H3,(H,27,32)