3-[2-[(4-bromophenyl)-methyl-amino]-2-oxidanylidene-ethyl]-5-chloranyl-1H-indole-2-carboxylic acid

Systemtic Name: 3-[2-[(4-bromophenyl)-methyl-amino]-2-oxidanylidene-ethyl]-5-chloranyl-1H-indole-2-carboxylic acid Openeye Name: 3-[2-(4-bromo-N-methyl-anilino)-2-oxo-ethyl]-5-chloro-1H-indole-2-carboxylic acid CAS Name: 3-[2-(4-bromo-N-methylanilino)-2-oxoethyl]-5-chloro-1H-indole-2-carboxylic acid IUPAC Name: 3-[2-(4-bromo-N-methylanilino)-2-oxoethyl]-5-chloro-1H-indole-2-carboxylic acid Traditional Name: 3-[2-(4-bromo-N-methyl-anilino)-2-keto-ethyl]-5-chloro-1H-indole-2-carboxylic acid Formula: C18H14BrClN2O3 MolecularWeight: 421.67236

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=C(C=C1)Br)C(=O)CC2=C(NC3=C2C=C(C=C3)Cl)C(=O)O

Isomeric SMILES

CN(C1=CC=C(C=C1)Br)C(=O)CC2=C(NC3=C2C=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C18H14BrClN2O3/c1-22(12-5-2-10(19)3-6-12)16(23)9-14-13-8-11(20)4-7-15(13)21-17(14)18(24)25/h2-8,21H,9H2,1H3,(H,24,25)