5-nitro-1-[[4-(phenylmethyl)piperazin-1-yl]methyl]indole-2,3-dione

Systemtic Name: 5-nitro-1-[[4-(phenylmethyl)piperazin-1-yl]methyl]indole-2,3-dione Openeye Name: 1-[(4-benzylpiperazin-1-yl)methyl]-5-nitro-indoline-2,3-dione CAS Name: 5-nitro-1-[[4-(phenylmethyl)-1-piperazinyl]methyl]indole-2,3-dione IUPAC Name: 1-[(4-benzylpiperazin-1-yl)methyl]-5-nitroindole-2,3-dione Traditional Name: 1-[(4-benzylpiperazino)methyl]-5-nitro-isatin Formula: C20H20N4O4 MolecularWeight: 380.3972

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)CN3C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)C3=O

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)CN3C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)C3=O

InChI

InChI=1S/C20H20N4O4/c25-19-17-12-16(24(27)28)6-7-18(17)23(20(19)26)14-22-10-8-21(9-11-22)13-15-4-2-1-3-5-15/h1-7,12H,8-11,13-14H2