methyl 5-bromanyl-3-[2-[4-(4-nitrophenyl)piperazin-1-yl]ethanoylamino]-1H-indole-2-carboxylate

Systemtic Name: methyl 5-bromanyl-3-[2-[4-(4-nitrophenyl)piperazin-1-yl]ethanoylamino]-1H-indole-2-carboxylate Openeye Name: methyl 5-bromo-3-[[2-[4-(4-nitrophenyl)piperazin-1-yl]acetyl]amino]-1H-indole-2-carboxylate CAS Name: 5-bromo-3-[[2-[4-(4-nitrophenyl)-1-piperazinyl]-1-oxoethyl]amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 5-bromo-3-[[2-[4-(4-nitrophenyl)piperazin-1-yl]acetyl]amino]-1H-indole-2-carboxylate Traditional Name: 5-bromo-3-[[2-[4-(4-nitrophenyl)piperazino]acetyl]amino]-1H-indole-2-carboxylic acid methyl ester Formula: C22H22BrN5O5 MolecularWeight: 516.34458

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(N1)C=CC(=C2)Br)NC(=O)CN3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=C(C2=C(N1)C=CC(=C2)Br)NC(=O)CN3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H22BrN5O5/c1-33-22(30)21-20(17-12-14(23)2-7-18(17)24-21)25-19(29)13-26-8-10-27(11-9-26)15-3-5-16(6-4-15)28(31)32/h2-7,12,24H,8-11,13H2,1H3,(H,25,29)