[2-[(3-iodanylphenyl)amino]-2-oxidanylidene-ethyl] 4-(methylamino)-3-nitro-benzoate

Systemtic Name: [2-[(3-iodanylphenyl)amino]-2-oxidanylidene-ethyl] 4-(methylamino)-3-nitro-benzoate Openeye Name: [2-(3-iodoanilino)-2-oxo-ethyl] 4-(methylamino)-3-nitro-benzoate CAS Name: 4-(methylamino)-3-nitrobenzoic acid [2-(3-iodoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-iodoanilino)-2-oxoethyl] 4-(methylamino)-3-nitrobenzoate Traditional Name: 4-(methylamino)-3-nitro-benzoic acid [2-(3-iodoanilino)-2-keto-ethyl] ester Formula: C16H14IN3O5 MolecularWeight: 455.20393

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC(=CC=C2)I)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC(=CC=C2)I)[N+](=O)[O-]

InChI

InChI=1S/C16H14IN3O5/c1-18-13-6-5-10(7-14(13)20(23)24)16(22)25-9-15(21)19-12-4-2-3-11(17)8-12/h2-8,18H,9H2,1H3,(H,19,21)