[2-[(2-ethanoyl-1-benzofuran-3-yl)amino]-2-oxidanylidene-ethyl] 3-nitro-4-pyrrolidin-1-yl-benzoate

Systemtic Name: [2-[(2-ethanoyl-1-benzofuran-3-yl)amino]-2-oxidanylidene-ethyl] 3-nitro-4-pyrrolidin-1-yl-benzoate Openeye Name: [2-[(2-acetylbenzofuran-3-yl)amino]-2-oxo-ethyl] 3-nitro-4-pyrrolidin-1-yl-benzoate CAS Name: 3-nitro-4-(1-pyrrolidinyl)benzoic acid [2-[(2-acetyl-3-benzofuranyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2-acetyl-1-benzofuran-3-yl)amino]-2-oxoethyl] 3-nitro-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-nitro-4-pyrrolidino-benzoic acid [2-[(2-acetylbenzofuran-3-yl)amino]-2-keto-ethyl] ester Formula: C23H21N3O7 MolecularWeight: 451.42874

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C2=CC=CC=C2O1)NC(=O)COC(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=C(C2=CC=CC=C2O1)NC(=O)COC(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C23H21N3O7/c1-14(27)22-21(16-6-2-3-7-19(16)33-22)24-20(28)13-32-23(29)15-8-9-17(18(12-15)26(30)31)25-10-4-5-11-25/h2-3,6-9,12H,4-5,10-11,13H2,1H3,(H,24,28)