3-(3-cyanophenyl)-N-[5-[3-(hydroxymethyl)pyrrol-1-yl]-2-nitro-phenyl]-3-oxidanylidene-propanamide

Systemtic Name: 3-(3-cyanophenyl)-N-[5-[3-(hydroxymethyl)pyrrol-1-yl]-2-nitro-phenyl]-3-oxidanylidene-propanamide Openeye Name: 3-(3-cyanophenyl)-N-[5-[3-(hydroxymethyl)pyrrol-1-yl]-2-nitro-phenyl]-3-oxo-propanamide CAS Name: 3-(3-cyanophenyl)-N-[5-[3-(hydroxymethyl)-1-pyrrolyl]-2-nitrophenyl]-3-oxopropanamide IUPAC Name: 3-(3-cyanophenyl)-N-[5-[3-(hydroxymethyl)pyrrol-1-yl]-2-nitrophenyl]-3-oxopropanamide Traditional Name: 3-(3-cyanophenyl)-3-keto-N-[5-(3-methylolpyrrol-1-yl)-2-nitro-phenyl]propionamide Formula: C21H16N4O5 MolecularWeight: 404.37554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(=O)CC(=O)NC2=C(C=CC(=C2)N3C=CC(=C3)CO)[N+](=O)[O-])C#N

Isomeric SMILES

C1=CC(=CC(=C1)C(=O)CC(=O)NC2=C(C=CC(=C2)N3C=CC(=C3)CO)[N+](=O)[O-])C#N

InChI

InChI=1S/C21H16N4O5/c22-11-14-2-1-3-16(8-14)20(27)10-21(28)23-18-9-17(4-5-19(18)25(29)30)24-7-6-15(12-24)13-26/h1-9,12,26H,10,13H2,(H,23,28)