[1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-iodanylbenzoate

Systemtic Name: [1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-iodanylbenzoate Openeye Name: [1-methyl-2-(3-nitroanilino)-2-oxo-ethyl] 4-iodobenzoate CAS Name: 4-iodobenzoic acid [1-(3-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-nitroanilino)-1-oxopropan-2-yl] 4-iodobenzoate Traditional Name: 4-iodobenzoic acid [2-keto-1-methyl-2-(3-nitroanilino)ethyl] ester Formula: C16H13IN2O5 MolecularWeight: 440.18929

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])OC(=O)C2=CC=C(C=C2)I

Isomeric SMILES

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])OC(=O)C2=CC=C(C=C2)I

InChI

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