4-[[4-[(3-bromophenyl)amino]-3-cyano-quinolin-6-yl]amino]-2-methylidene-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[4-[(3-bromophenyl)amino]-3-cyano-quinolin-6-yl]amino]-2-methylidene-4-oxidanylidene-butanoic acid Openeye Name: 4-[[4-(3-bromoanilino)-3-cyano-6-quinolyl]amino]-2-methylene-4-oxo-butanoic acid CAS Name: 4-[[4-(3-bromoanilino)-3-cyano-6-quinolinyl]amino]-2-methylene-4-oxobutanoic acid IUPAC Name: 4-[[4-(3-bromoanilino)-3-cyanoquinolin-6-yl]amino]-2-methylidene-4-oxobutanoic acid Traditional Name: 2-[2-[[4-(3-bromoanilino)-3-cyano-6-quinolyl]amino]-2-keto-ethyl]acrylic acid Formula: C21H15BrN4O3 MolecularWeight: 451.2728

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Descriptors Computed from Structure

Canonical SMILES:

C=C(CC(=O)NC1=CC2=C(C(=CN=C2C=C1)C#N)NC3=CC(=CC=C3)Br)C(=O)O

Isomeric SMILES

C=C(CC(=O)NC1=CC2=C(C(=CN=C2C=C1)C#N)NC3=CC(=CC=C3)Br)C(=O)O

InChI

InChI=1S/C21H15BrN4O3/c1-12(21(28)29)7-19(27)25-16-5-6-18-17(9-16)20(13(10-23)11-24-18)26-15-4-2-3-14(22)8-15/h2-6,8-9,11H,1,7H2,(H,24,26)(H,25,27)(H,28,29)