[2-[[3-(3-cyanophenyl)-3-oxidanylidene-propanoyl]amino]-3-ethynyl-5-methoxy-phenyl]carbamic acid

Systemtic Name: [2-[[3-(3-cyanophenyl)-3-oxidanylidene-propanoyl]amino]-3-ethynyl-5-methoxy-phenyl]carbamic acid Openeye Name: [2-[[3-(3-cyanophenyl)-3-oxo-propanoyl]amino]-3-ethynyl-5-methoxy-phenyl]carbamic acid CAS Name: [2-[[3-(3-cyanophenyl)-1,3-dioxopropyl]amino]-3-ethynyl-5-methoxyphenyl]carbamic acid IUPAC Name: [2-[[3-(3-cyanophenyl)-3-oxopropanoyl]amino]-3-ethynyl-5-methoxyphenyl]carbamic acid Traditional Name: [2-[[3-(3-cyanophenyl)-3-keto-propanoyl]amino]-3-ethynyl-5-methoxy-phenyl]carbamic acid Formula: C20H15N3O5 MolecularWeight: 377.3502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H15N3O5/c1-3-13-8-15(28-2)9-16(22-20(26)27)19(13)23-18(25)10-17(24)14-6-4-5-12(7-14)11-21/h1,4-9,22H,10H2,2H3,(H,23,25)(H,26,27)