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

Systemtic Name: [2-[(4-iodophenyl)amino]-2-oxidanylidene-ethyl] 3-nitro-4-pyrrolidin-1-yl-benzoate Openeye Name: [2-(4-iodoanilino)-2-oxo-ethyl] 3-nitro-4-pyrrolidin-1-yl-benzoate CAS Name: 3-nitro-4-(1-pyrrolidinyl)benzoic acid [2-(4-iodoanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-iodoanilino)-2-oxoethyl] 3-nitro-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-nitro-4-pyrrolidino-benzoic acid [2-(4-iodoanilino)-2-keto-ethyl] ester Formula: C19H18IN3O5 MolecularWeight: 495.26779

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)OCC(=O)NC3=CC=C(C=C3)I)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)OCC(=O)NC3=CC=C(C=C3)I)[N+](=O)[O-]

InChI

InChI=1S/C19H18IN3O5/c20-14-4-6-15(7-5-14)21-18(24)12-28-19(25)13-3-8-16(17(11-13)23(26)27)22-9-1-2-10-22/h3-8,11H,1-2,9-10,12H2,(H,21,24)