[3-(3-cyanophenyl)-5-methoxy-4-pyrrol-1-yl-phenyl]-(3-oxidanylidenepropanoylamino)carbamic acid

Systemtic Name: [3-(3-cyanophenyl)-5-methoxy-4-pyrrol-1-yl-phenyl]-(3-oxidanylidenepropanoylamino)carbamic acid Openeye Name: [3-(3-cyanophenyl)-5-methoxy-4-pyrrol-1-yl-phenyl]-(3-oxopropanoylamino)carbamic acid CAS Name: [3-(3-cyanophenyl)-5-methoxy-4-(1-pyrrolyl)phenyl]-(1,3-dioxopropylamino)carbamic acid IUPAC Name: [3-(3-cyanophenyl)-5-methoxy-4-pyrrol-1-ylphenyl]-(3-oxopropanoylamino)carbamic acid Traditional Name: [3-(3-cyanophenyl)-5-methoxy-4-pyrrol-1-yl-phenyl]-(3-ketopropanoylamino)carbamic acid Formula: C22H18N4O5 MolecularWeight: 418.40212

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)N(C(=O)O)NC(=O)CC=O)C2=CC=CC(=C2)C#N)N3C=CC=C3

Isomeric SMILES

COC1=C(C(=CC(=C1)N(C(=O)O)NC(=O)CC=O)C2=CC=CC(=C2)C#N)N3C=CC=C3

InChI

InChI=1S/C22H18N4O5/c1-31-19-13-17(26(22(29)30)24-20(28)7-10-27)12-18(21(19)25-8-2-3-9-25)16-6-4-5-15(11-16)14-23/h2-6,8-13H,7H2,1H3,(H,24,28)(H,29,30)