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

Systemtic Name: methyl 5-methyl-3-[2-[4-(4-nitrophenyl)piperazin-1-yl]ethanoylamino]-1H-indole-2-carboxylate Openeye Name: methyl 5-methyl-3-[[2-[4-(4-nitrophenyl)piperazin-1-yl]acetyl]amino]-1H-indole-2-carboxylate CAS Name: 5-methyl-3-[[2-[4-(4-nitrophenyl)-1-piperazinyl]-1-oxoethyl]amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 5-methyl-3-[[2-[4-(4-nitrophenyl)piperazin-1-yl]acetyl]amino]-1H-indole-2-carboxylate Traditional Name: 5-methyl-3-[[2-[4-(4-nitrophenyl)piperazino]acetyl]amino]-1H-indole-2-carboxylic acid methyl ester Formula: C23H25N5O5 MolecularWeight: 451.4751

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=C2NC(=O)CN3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=C2NC(=O)CN3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C23H25N5O5/c1-15-3-8-19-18(13-15)21(22(24-19)23(30)33-2)25-20(29)14-26-9-11-27(12-10-26)16-4-6-17(7-5-16)28(31)32/h3-8,13,24H,9-12,14H2,1-2H3,(H,25,29)