3,5-dinitro-N-[(E)-[2-oxidanylidene-1-[(4-phenylpiperazin-1-yl)methyl]indol-3-ylidene]amino]benzamide

Systemtic Name: 3,5-dinitro-N-[(E)-[2-oxidanylidene-1-[(4-phenylpiperazin-1-yl)methyl]indol-3-ylidene]amino]benzamide Openeye Name: 3,5-dinitro-N-[(E)-[2-oxo-1-[(4-phenylpiperazin-1-yl)methyl]indolin-3-ylidene]amino]benzamide CAS Name: 3,5-dinitro-N-[(E)-[2-oxo-1-[(4-phenyl-1-piperazinyl)methyl]-3-indolylidene]amino]benzamide IUPAC Name: 3,5-dinitro-N-[(E)-[2-oxo-1-[(4-phenylpiperazin-1-yl)methyl]indol-3-ylidene]amino]benzamide Traditional Name: N-[(E)-[2-keto-1-[(4-phenylpiperazino)methyl]indolin-3-ylidene]amino]-3,5-dinitro-benzamide Formula: C26H23N7O6 MolecularWeight: 529.50412

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CN2C3=CC=CC=C3C(=NNC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-])C2=O)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CN2C3=CC=CC=C3/C(=N\NC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-])/C2=O)C5=CC=CC=C5

InChI

InChI=1S/C26H23N7O6/c34-25(18-14-20(32(36)37)16-21(15-18)33(38)39)28-27-24-22-8-4-5-9-23(22)31(26(24)35)17-29-10-12-30(13-11-29)19-6-2-1-3-7-19/h1-9,14-16H,10-13,17H2,(H,28,34)/b27-24+