4-[[2-[3-(aminocarbonylamino)-2-cyano-3-oxidanylidene-prop-1-enyl]-4-bromanyl-phenoxy]methyl]benzoic acid

Systemtic Name: 4-[[2-[3-(aminocarbonylamino)-2-cyano-3-oxidanylidene-prop-1-enyl]-4-bromanyl-phenoxy]methyl]benzoic acid Openeye Name: 4-[[4-bromo-2-(2-cyano-3-oxo-3-ureido-prop-1-enyl)phenoxy]methyl]benzoic acid CAS Name: 4-[[4-bromo-2-[3-(carbamoylamino)-2-cyano-3-oxoprop-1-enyl]phenoxy]methyl]benzoic acid IUPAC Name: 4-[[4-bromo-2-[3-(carbamoylamino)-2-cyano-3-oxoprop-1-enyl]phenoxy]methyl]benzoic acid Traditional Name: 4-[[4-bromo-2-(2-cyano-3-keto-3-ureido-prop-1-enyl)phenoxy]methyl]benzoic acid Formula: C19H14BrN3O5 MolecularWeight: 444.23556

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1COC2=C(C=C(C=C2)Br)C=C(C#N)C(=O)NC(=O)N)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1COC2=C(C=C(C=C2)Br)C=C(C#N)C(=O)NC(=O)N)C(=O)O

InChI

InChI=1S/C19H14BrN3O5/c20-15-5-6-16(28-10-11-1-3-12(4-2-11)18(25)26)13(8-15)7-14(9-21)17(24)23-19(22)27/h1-8H,10H2,(H,25,26)(H3,22,23,24,27)