methyl 1-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]indole-3-carboxylate

Systemtic Name: methyl 1-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]indole-3-carboxylate Openeye Name: methyl 1-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxo-ethyl]indole-3-carboxylate CAS Name: 1-[2-[4-(4-nitrophenyl)-1-piperazinyl]-2-oxoethyl]-3-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl]indole-3-carboxylate Traditional Name: 1-[2-keto-2-[4-(4-nitrophenyl)piperazino]ethyl]indole-3-carboxylic acid methyl ester Formula: C22H22N4O5 MolecularWeight: 422.43388

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(C2=CC=CC=C21)CC(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CN(C2=CC=CC=C21)CC(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H22N4O5/c1-31-22(28)19-14-25(20-5-3-2-4-18(19)20)15-21(27)24-12-10-23(11-13-24)16-6-8-17(9-7-16)26(29)30/h2-9,14H,10-13,15H2,1H3