[2-[[3-(3-cyanophenyl)-3-oxidanylidene-propanoyl]amino]-4-iodanyl-phenyl]carbamic acid

Systemtic Name: [2-[[3-(3-cyanophenyl)-3-oxidanylidene-propanoyl]amino]-4-iodanyl-phenyl]carbamic acid Openeye Name: [2-[[3-(3-cyanophenyl)-3-oxo-propanoyl]amino]-4-iodo-phenyl]carbamic acid CAS Name: [2-[[3-(3-cyanophenyl)-1,3-dioxopropyl]amino]-4-iodophenyl]carbamic acid IUPAC Name: [2-[[3-(3-cyanophenyl)-3-oxopropanoyl]amino]-4-iodophenyl]carbamic acid Traditional Name: [2-[[3-(3-cyanophenyl)-3-keto-propanoyl]amino]-4-iodo-phenyl]carbamic acid Formula: C17H12IN3O4 MolecularWeight: 449.19935

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(=O)CC(=O)NC2=C(C=CC(=C2)I)NC(=O)O)C#N

Isomeric SMILES

C1=CC(=CC(=C1)C(=O)CC(=O)NC2=C(C=CC(=C2)I)NC(=O)O)C#N

InChI

InChI=1S/C17H12IN3O4/c18-12-4-5-13(21-17(24)25)14(7-12)20-16(23)8-15(22)11-3-1-2-10(6-11)9-19/h1-7,21H,8H2,(H,20,23)(H,24,25)