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

Systemtic Name: methyl 3-[2-[4-(4-nitrophenyl)piperazin-1-yl]ethanoylamino]-1H-indole-2-carboxylate Openeye Name: methyl 3-[[2-[4-(4-nitrophenyl)piperazin-1-yl]acetyl]amino]-1H-indole-2-carboxylate CAS Name: 3-[[2-[4-(4-nitrophenyl)-1-piperazinyl]-1-oxoethyl]amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[[2-[4-(4-nitrophenyl)piperazin-1-yl]acetyl]amino]-1H-indole-2-carboxylate Traditional Name: 3-[[2-[4-(4-nitrophenyl)piperazino]acetyl]amino]-1H-indole-2-carboxylic acid methyl ester Formula: C22H23N5O5 MolecularWeight: 437.44852

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=CC=CC=C2N1)NC(=O)CN3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=C(C2=CC=CC=C2N1)NC(=O)CN3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H23N5O5/c1-32-22(29)21-20(17-4-2-3-5-18(17)23-21)24-19(28)14-25-10-12-26(13-11-25)15-6-8-16(9-7-15)27(30)31/h2-9,23H,10-14H2,1H3,(H,24,28)