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

Systemtic Name: [3-(3-cyanophenyl)-4-pyrrol-1-yl-phenyl]-(3-oxidanylidenepropanoylamino)carbamic acid Openeye Name: [3-(3-cyanophenyl)-4-pyrrol-1-yl-phenyl]-(3-oxopropanoylamino)carbamic acid CAS Name: [3-(3-cyanophenyl)-4-(1-pyrrolyl)phenyl]-(1,3-dioxopropylamino)carbamic acid IUPAC Name: [3-(3-cyanophenyl)-4-pyrrol-1-ylphenyl]-(3-oxopropanoylamino)carbamic acid Traditional Name: [3-(3-cyanophenyl)-4-pyrrol-1-yl-phenyl]-(3-ketopropanoylamino)carbamic acid Formula: C21H16N4O4 MolecularWeight: 388.37614

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16N4O4/c22-14-15-4-3-5-16(12-15)18-13-17(6-7-19(18)24-9-1-2-10-24)25(21(28)29)23-20(27)8-11-26/h1-7,9-13H,8H2,(H,23,27)(H,28,29)