methyl 4-[(3-bromophenyl)amino]-2-methyl-5-oxidanylidene-indeno[1,2-b]pyridine-3-carboxylate

Systemtic Name: methyl 4-[(3-bromophenyl)amino]-2-methyl-5-oxidanylidene-indeno[1,2-b]pyridine-3-carboxylate Openeye Name: methyl 4-(3-bromoanilino)-2-methyl-5-oxo-indeno[1,2-b]pyridine-3-carboxylate CAS Name: 4-(3-bromoanilino)-2-methyl-5-oxo-3-indeno[1,2-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 4-(3-bromoanilino)-2-methyl-5-oxoindeno[1,2-b]pyridine-3-carboxylate Traditional Name: 4-(3-bromoanilino)-5-keto-2-methyl-indeno[1,2-b]pyridine-3-carboxylic acid methyl ester Formula: C21H15BrN2O3 MolecularWeight: 423.2594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C2C(=N1)C3=CC=CC=C3C2=O)NC4=CC(=CC=C4)Br)C(=O)OC

Isomeric SMILES

CC1=C(C(=C2C(=N1)C3=CC=CC=C3C2=O)NC4=CC(=CC=C4)Br)C(=O)OC

InChI

InChI=1S/C21H15BrN2O3/c1-11-16(21(26)27-2)19(24-13-7-5-6-12(22)10-13)17-18(23-11)14-8-3-4-9-15(14)20(17)25/h3-10H,1-2H3,(H,23,24)