methyl 5-bromanyl-3-[(3-methylphenyl)carbonylamino]-1H-indole-2-carboxylate

Systemtic Name: methyl 5-bromanyl-3-[(3-methylphenyl)carbonylamino]-1H-indole-2-carboxylate Openeye Name: methyl 5-bromo-3-[(3-methylbenzoyl)amino]-1H-indole-2-carboxylate CAS Name: 5-bromo-3-[[(3-methylphenyl)-oxomethyl]amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 5-bromo-3-[(3-methylbenzoyl)amino]-1H-indole-2-carboxylate Traditional Name: 5-bromo-3-(m-toluoylamino)-1H-indole-2-carboxylic acid methyl ester Formula: C18H15BrN2O3 MolecularWeight: 387.2273

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC2=C(NC3=C2C=C(C=C3)Br)C(=O)OC

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC2=C(NC3=C2C=C(C=C3)Br)C(=O)OC

InChI

InChI=1S/C18H15BrN2O3/c1-10-4-3-5-11(8-10)17(22)21-15-13-9-12(19)6-7-14(13)20-16(15)18(23)24-2/h3-9,20H,1-2H3,(H,21,22)