[2-[(2-cyano-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-iodanylbenzoate

Systemtic Name: [2-[(2-cyano-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-iodanylbenzoate Openeye Name: [2-(2-cyano-4-nitro-anilino)-2-oxo-ethyl] 4-iodobenzoate CAS Name: 4-iodobenzoic acid [2-(2-cyano-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyano-4-nitroanilino)-2-oxoethyl] 4-iodobenzoate Traditional Name: 4-iodobenzoic acid [2-(2-cyano-4-nitro-anilino)-2-keto-ethyl] ester Formula: C16H10IN3O5 MolecularWeight: 451.17217

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C#N)I

Isomeric SMILES

C1=CC(=CC=C1C(=O)OCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C#N)I

InChI

InChI=1S/C16H10IN3O5/c17-12-3-1-10(2-4-12)16(22)25-9-15(21)19-14-6-5-13(20(23)24)7-11(14)8-18/h1-7H,9H2,(H,19,21)