[2-[[3-(3-cyanophenyl)-3-oxidanylidene-propanoyl]amino]-4-pyrrol-1-yl-phenyl]carbamic acid

Systemtic Name: [2-[[3-(3-cyanophenyl)-3-oxidanylidene-propanoyl]amino]-4-pyrrol-1-yl-phenyl]carbamic acid Openeye Name: [2-[[3-(3-cyanophenyl)-3-oxo-propanoyl]amino]-4-pyrrol-1-yl-phenyl]carbamic acid CAS Name: [2-[[3-(3-cyanophenyl)-1,3-dioxopropyl]amino]-4-(1-pyrrolyl)phenyl]carbamic acid IUPAC Name: [2-[[3-(3-cyanophenyl)-3-oxopropanoyl]amino]-4-pyrrol-1-ylphenyl]carbamic acid Traditional Name: [2-[[3-(3-cyanophenyl)-3-keto-propanoyl]amino]-4-pyrrol-1-yl-phenyl]carbamic acid Formula: C21H16N4O4 MolecularWeight: 388.37614

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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