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

Systemtic Name: 3-azanyl-3-[2-[(3-bromophenyl)amino]-3-cyano-quinolin-6-yl]-2-methylidene-4-oxidanylidene-butanoic acid Openeye Name: 3-amino-3-[2-(3-bromoanilino)-3-cyano-6-quinolyl]-2-methylene-4-oxo-butanoic acid CAS Name: 3-amino-3-[2-(3-bromoanilino)-3-cyano-6-quinolinyl]-2-methylene-4-oxobutanoic acid IUPAC Name: 3-amino-3-[2-(3-bromoanilino)-3-cyanoquinolin-6-yl]-2-methylidene-4-oxobutanoic acid Traditional Name: 2-[1-amino-1-[2-(3-bromoanilino)-3-cyano-6-quinolyl]-2-keto-ethyl]acrylic acid Formula: C21H15BrN4O3 MolecularWeight: 451.2728

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Descriptors Computed from Structure

Canonical SMILES:

C=C(C(=O)O)C(C=O)(C1=CC2=C(C=C1)N=C(C(=C2)C#N)NC3=CC(=CC=C3)Br)N

Isomeric SMILES

C=C(C(=O)O)C(C=O)(C1=CC2=C(C=C1)N=C(C(=C2)C#N)NC3=CC(=CC=C3)Br)N

InChI

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