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

Systemtic Name: methyl 6-bromanyl-1-(dimethylcarbamoyl)-3-[4-[[(3-nitropyridin-4-yl)amino]methyl]phenyl]carbonyl-indole-4-carboxylate Openeye Name: methyl 6-bromo-1-(dimethylcarbamoyl)-3-[4-[[(3-nitro-4-pyridyl)amino]methyl]benzoyl]indole-4-carboxylate CAS Name: 6-bromo-1-[dimethylamino(oxo)methyl]-3-[[4-[[(3-nitro-4-pyridinyl)amino]methyl]phenyl]-oxomethyl]-4-indolecarboxylic acid methyl ester IUPAC Name: methyl 6-bromo-1-(dimethylcarbamoyl)-3-[4-[[(3-nitropyridin-4-yl)amino]methyl]benzoyl]indole-4-carboxylate Traditional Name: 6-bromo-1-(dimethylcarbamoyl)-3-[4-[[(3-nitro-4-pyridyl)amino]methyl]benzoyl]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)N1C=C(C2=C1C=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)N1C=C(C2=C1C=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/c1-30(2)26(35)31-14-19(23-18(25(34)38-3)10-17(27)11-21(23)31)24(33)16-6-4-15(5-7-16)12-29-20-8-9-28-13-22(20)32(36)37/h4-11,13-14H,12H2,1-3H3,(H,28,29)