[2-[(2-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-iodanylbenzoate

Systemtic Name: [2-[(2-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-iodanylbenzoate Openeye Name: [2-(2-methyl-3-nitro-anilino)-2-oxo-ethyl] 4-iodobenzoate CAS Name: 4-iodobenzoic acid [2-(2-methyl-3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-3-nitroanilino)-2-oxoethyl] 4-iodobenzoate Traditional Name: 4-iodobenzoic acid [2-keto-2-(2-methyl-3-nitro-anilino)ethyl] ester Formula: C16H13IN2O5 MolecularWeight: 440.18929

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)COC(=O)C2=CC=C(C=C2)I

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)COC(=O)C2=CC=C(C=C2)I

InChI

InChI=1S/C16H13IN2O5/c1-10-13(3-2-4-14(10)19(22)23)18-15(20)9-24-16(21)11-5-7-12(17)8-6-11/h2-8H,9H2,1H3,(H,18,20)