[2-[[3-(3-cyanophenyl)-3-oxidanylidene-propanoyl]amino]-5-methoxy-4-pyrrol-1-yl-phenyl]carbamic acid

Systemtic Name: [2-[[3-(3-cyanophenyl)-3-oxidanylidene-propanoyl]amino]-5-methoxy-4-pyrrol-1-yl-phenyl]carbamic acid Openeye Name: [2-[[3-(3-cyanophenyl)-3-oxo-propanoyl]amino]-5-methoxy-4-pyrrol-1-yl-phenyl]carbamic acid CAS Name: [2-[[3-(3-cyanophenyl)-1,3-dioxopropyl]amino]-5-methoxy-4-(1-pyrrolyl)phenyl]carbamic acid IUPAC Name: [2-[[3-(3-cyanophenyl)-3-oxopropanoyl]amino]-5-methoxy-4-pyrrol-1-ylphenyl]carbamic acid Traditional Name: [2-[[3-(3-cyanophenyl)-3-keto-propanoyl]amino]-5-methoxy-4-pyrrol-1-yl-phenyl]carbamic acid Formula: C22H18N4O5 MolecularWeight: 418.40212

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1N2C=CC=C2)NC(=O)CC(=O)C3=CC=CC(=C3)C#N)NC(=O)O

Isomeric SMILES

COC1=CC(=C(C=C1N2C=CC=C2)NC(=O)CC(=O)C3=CC=CC(=C3)C#N)NC(=O)O

InChI

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