2-(4-ethanoylpiperazin-1-yl)ethyl 3-[[4-(furan-3-yl)-2-nitro-phenyl]amino]benzoate

Systemtic Name: 2-(4-ethanoylpiperazin-1-yl)ethyl 3-[[4-(furan-3-yl)-2-nitro-phenyl]amino]benzoate Openeye Name: 2-(4-acetylpiperazin-1-yl)ethyl 3-[4-(3-furyl)-2-nitro-anilino]benzoate CAS Name: 3-[4-(3-furanyl)-2-nitroanilino]benzoic acid 2-(4-acetyl-1-piperazinyl)ethyl ester IUPAC Name: 2-(4-acetylpiperazin-1-yl)ethyl 3-[4-(furan-3-yl)-2-nitroanilino]benzoate Traditional Name: 3-[4-(3-furyl)-2-nitro-anilino]benzoic acid 2-(4-acetylpiperazino)ethyl ester Formula: C25H26N4O6 MolecularWeight: 478.49714

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)CCOC(=O)C2=CC(=CC=C2)NC3=C(C=C(C=C3)C4=COC=C4)[N+](=O)[O-]

Isomeric SMILES

CC(=O)N1CCN(CC1)CCOC(=O)C2=CC(=CC=C2)NC3=C(C=C(C=C3)C4=COC=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H26N4O6/c1-18(30)28-10-8-27(9-11-28)12-14-35-25(31)20-3-2-4-22(15-20)26-23-6-5-19(16-24(23)29(32)33)21-7-13-34-17-21/h2-7,13,15-17,26H,8-12,14H2,1H3