[2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl] 4-iodanylbenzoate

Systemtic Name: [2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl] 4-iodanylbenzoate Openeye Name: [2-(3-nitroanilino)-2-oxo-ethyl] 4-iodobenzoate CAS Name: 4-iodobenzoic acid [2-(3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-nitroanilino)-2-oxoethyl] 4-iodobenzoate Traditional Name: 4-iodobenzoic acid [2-keto-2-(3-nitroanilino)ethyl] ester Formula: C15H11IN2O5 MolecularWeight: 426.16271

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H11IN2O5/c16-11-6-4-10(5-7-11)15(20)23-9-14(19)17-12-2-1-3-13(8-12)18(21)22/h1-8H,9H2,(H,17,19)