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

Systemtic Name: ethyl 4-(4-ethylpiperazin-1-yl)-3-[[5-(2-nitrophenyl)furan-2-yl]carbonylamino]benzoate Openeye Name: ethyl 4-(4-ethylpiperazin-1-yl)-3-[[5-(2-nitrophenyl)furan-2-carbonyl]amino]benzoate CAS Name: 4-(4-ethyl-1-piperazinyl)-3-[[[5-(2-nitrophenyl)-2-furanyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-(4-ethylpiperazin-1-yl)-3-[[5-(2-nitrophenyl)furan-2-carbonyl]amino]benzoate Traditional Name: 4-(4-ethylpiperazino)-3-[[5-(2-nitrophenyl)-2-furoyl]amino]benzoic acid ethyl ester Formula: C26H28N4O6 MolecularWeight: 492.52372

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC)NC(=O)C3=CC=C(O3)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CCN1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC)NC(=O)C3=CC=C(O3)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C26H28N4O6/c1-3-28-13-15-29(16-14-28)22-10-9-18(26(32)35-4-2)17-20(22)27-25(31)24-12-11-23(36-24)19-7-5-6-8-21(19)30(33)34/h5-12,17H,3-4,13-16H2,1-2H3,(H,27,31)