[2-[4-(3-acetamidopropyl)phenyl]-2-oxidanylidene-ethyl] 2-[(5-nitrofuran-2-yl)carbonylamino]benzoate

Systemtic Name: [2-[4-(3-acetamidopropyl)phenyl]-2-oxidanylidene-ethyl] 2-[(5-nitrofuran-2-yl)carbonylamino]benzoate Openeye Name: [2-[4-(3-acetamidopropyl)phenyl]-2-oxo-ethyl] 2-[(5-nitrofuran-2-carbonyl)amino]benzoate CAS Name: 2-[[(5-nitro-2-furanyl)-oxomethyl]amino]benzoic acid [2-[4-(3-acetamidopropyl)phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(3-acetamidopropyl)phenyl]-2-oxoethyl] 2-[(5-nitrofuran-2-carbonyl)amino]benzoate Traditional Name: 2-[(5-nitro-2-furoyl)amino]benzoic acid [2-[4-(3-acetamidopropyl)phenyl]-2-keto-ethyl] ester Formula: C25H23N3O8 MolecularWeight: 493.46542

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCCC1=CC=C(C=C1)C(=O)COC(=O)C2=CC=CC=C2NC(=O)C3=CC=C(O3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NCCCC1=CC=C(C=C1)C(=O)COC(=O)C2=CC=CC=C2NC(=O)C3=CC=C(O3)[N+](=O)[O-]

InChI

InChI=1S/C25H23N3O8/c1-16(29)26-14-4-5-17-8-10-18(11-9-17)21(30)15-35-25(32)19-6-2-3-7-20(19)27-24(31)22-12-13-23(36-22)28(33)34/h2-3,6-13H,4-5,14-15H2,1H3,(H,26,29)(H,27,31)