3-(3-cyanophenyl)-N-(4-iodanyl-2-nitro-5-pyrrol-1-yl-phenyl)-3-oxidanylidene-propanamide

Systemtic Name: 3-(3-cyanophenyl)-N-(4-iodanyl-2-nitro-5-pyrrol-1-yl-phenyl)-3-oxidanylidene-propanamide Openeye Name: 3-(3-cyanophenyl)-N-(4-iodo-2-nitro-5-pyrrol-1-yl-phenyl)-3-oxo-propanamide CAS Name: 3-(3-cyanophenyl)-N-[4-iodo-2-nitro-5-(1-pyrrolyl)phenyl]-3-oxopropanamide IUPAC Name: 3-(3-cyanophenyl)-N-(4-iodo-2-nitro-5-pyrrol-1-ylphenyl)-3-oxopropanamide Traditional Name: 3-(3-cyanophenyl)-N-(4-iodo-2-nitro-5-pyrrol-1-yl-phenyl)-3-keto-propionamide Formula: C20H13IN4O4 MolecularWeight: 500.24609

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=C1)C2=CC(=C(C=C2I)[N+](=O)[O-])NC(=O)CC(=O)C3=CC=CC(=C3)C#N

Isomeric SMILES

C1=CN(C=C1)C2=CC(=C(C=C2I)[N+](=O)[O-])NC(=O)CC(=O)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C20H13IN4O4/c21-15-9-18(25(28)29)16(10-17(15)24-6-1-2-7-24)23-20(27)11-19(26)14-5-3-4-13(8-14)12-22/h1-10H,11H2,(H,23,27)