7-chloranyl-6-[(2,5-dimethylpyrrol-1-yl)amino]-4-oxidanylidene-1-(phenylmethyl)quinoline-3-carboxylic acid

Systemtic Name: 7-chloranyl-6-[(2,5-dimethylpyrrol-1-yl)amino]-4-oxidanylidene-1-(phenylmethyl)quinoline-3-carboxylic acid Openeye Name: 1-benzyl-7-chloro-6-[(2,5-dimethylpyrrol-1-yl)amino]-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-chloro-6-[(2,5-dimethyl-1-pyrrolyl)amino]-4-oxo-1-(phenylmethyl)-3-quinolinecarboxylic acid IUPAC Name: 1-benzyl-7-chloro-6-[(2,5-dimethylpyrrol-1-yl)amino]-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-benzyl-7-chloro-6-[(2,5-dimethylpyrrol-1-yl)amino]-4-keto-quinoline-3-carboxylic acid Formula: C23H20ClN3O3 MolecularWeight: 421.8762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1NC2=C(C=C3C(=C2)C(=O)C(=CN3CC4=CC=CC=C4)C(=O)O)Cl)C

Isomeric SMILES

CC1=CC=C(N1NC2=C(C=C3C(=C2)C(=O)C(=CN3CC4=CC=CC=C4)C(=O)O)Cl)C

InChI

InChI=1S/C23H20ClN3O3/c1-14-8-9-15(2)27(14)25-20-10-17-21(11-19(20)24)26(12-16-6-4-3-5-7-16)13-18(22(17)28)23(29)30/h3-11,13,25H,12H2,1-2H3,(H,29,30)