6-bromanyl-2-methyl-3-(phenylcarbamoyl)quinoline-4-carboxylic acid

Systemtic Name: 6-bromanyl-2-methyl-3-(phenylcarbamoyl)quinoline-4-carboxylic acid Openeye Name: 6-bromo-2-methyl-3-(phenylcarbamoyl)quinoline-4-carboxylic acid CAS Name: 3-[anilino(oxo)methyl]-6-bromo-2-methyl-4-quinolinecarboxylic acid IUPAC Name: 6-bromo-2-methyl-3-(phenylcarbamoyl)quinoline-4-carboxylic acid Traditional Name: 6-bromo-2-methyl-3-(phenylcarbamoyl)cinchoninic acid Formula: C18H13BrN2O3 MolecularWeight: 385.21142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C2C=C(C=CC2=N1)Br)C(=O)O)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=C2C=C(C=CC2=N1)Br)C(=O)O)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C18H13BrN2O3/c1-10-15(17(22)21-12-5-3-2-4-6-12)16(18(23)24)13-9-11(19)7-8-14(13)20-10/h2-9H,1H3,(H,21,22)(H,23,24)