methyl 6-bromanyl-2-(dimethylcarbamoyl)-3-[4-[[(3-nitropyridin-4-yl)amino]methyl]phenyl]carbonyl-1H-indole-4-carboxylate

Systemtic Name: methyl 6-bromanyl-2-(dimethylcarbamoyl)-3-[4-[[(3-nitropyridin-4-yl)amino]methyl]phenyl]carbonyl-1H-indole-4-carboxylate Openeye Name: methyl 6-bromo-2-(dimethylcarbamoyl)-3-[4-[[(3-nitro-4-pyridyl)amino]methyl]benzoyl]-1H-indole-4-carboxylate CAS Name: 6-bromo-2-[dimethylamino(oxo)methyl]-3-[[4-[[(3-nitro-4-pyridinyl)amino]methyl]phenyl]-oxomethyl]-1H-indole-4-carboxylic acid methyl ester IUPAC Name: methyl 6-bromo-2-(dimethylcarbamoyl)-3-[4-[[(3-nitropyridin-4-yl)amino]methyl]benzoyl]-1H-indole-4-carboxylate Traditional Name: 6-bromo-2-(dimethylcarbamoyl)-3-[4-[[(3-nitro-4-pyridyl)amino]methyl]benzoyl]-1H-indole-4-carboxylic acid methyl ester Formula: C26H22BrN5O6 MolecularWeight: 580.38678

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C1=C(C2=C(N1)C=C(C=C2C(=O)OC)Br)C(=O)C3=CC=C(C=C3)CNC4=C(C=NC=C4)[N+](=O)[O-]

Isomeric SMILES

CN(C)C(=O)C1=C(C2=C(N1)C=C(C=C2C(=O)OC)Br)C(=O)C3=CC=C(C=C3)CNC4=C(C=NC=C4)[N+](=O)[O-]

InChI

InChI=1S/C26H22BrN5O6/c1-31(2)25(34)23-22(21-17(26(35)38-3)10-16(27)11-19(21)30-23)24(33)15-6-4-14(5-7-15)12-29-18-8-9-28-13-20(18)32(36)37/h4-11,13,30H,12H2,1-3H3,(H,28,29)