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

Systemtic Name: [2-[(3-iodanylphenyl)amino]-2-oxidanylidene-ethyl] 3-methyl-2-nitro-benzoate Openeye Name: [2-(3-iodoanilino)-2-oxo-ethyl] 3-methyl-2-nitro-benzoate CAS Name: 3-methyl-2-nitrobenzoic acid [2-(3-iodoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-iodoanilino)-2-oxoethyl] 3-methyl-2-nitrobenzoate Traditional Name: 3-methyl-2-nitro-benzoic acid [2-(3-iodoanilino)-2-keto-ethyl] ester Formula: C16H13IN2O5 MolecularWeight: 440.18929

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)OCC(=O)NC2=CC(=CC=C2)I

Isomeric SMILES

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)OCC(=O)NC2=CC(=CC=C2)I

InChI

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