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

Systemtic Name: N-[(E)-[1-[(4-methylpiperazin-1-yl)methyl]-2-oxidanylidene-indol-3-ylidene]amino]-3,5-dinitro-benzamide Openeye Name: N-[(E)-[1-[(4-methylpiperazin-1-yl)methyl]-2-oxo-indolin-3-ylidene]amino]-3,5-dinitro-benzamide CAS Name: N-[(E)-[1-[(4-methyl-1-piperazinyl)methyl]-2-oxo-3-indolylidene]amino]-3,5-dinitrobenzamide IUPAC Name: N-[(E)-[1-[(4-methylpiperazin-1-yl)methyl]-2-oxoindol-3-ylidene]amino]-3,5-dinitrobenzamide Traditional Name: N-[(E)-[2-keto-1-[(4-methylpiperazino)methyl]indolin-3-ylidene]amino]-3,5-dinitro-benzamide Formula: C21H21N7O6 MolecularWeight: 467.43474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CN2C3=CC=CC=C3C(=NNC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-])C2=O

Isomeric SMILES

CN1CCN(CC1)CN2C3=CC=CC=C3/C(=N\NC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-])/C2=O

InChI

InChI=1S/C21H21N7O6/c1-24-6-8-25(9-7-24)13-26-18-5-3-2-4-17(18)19(21(26)30)22-23-20(29)14-10-15(27(31)32)12-16(11-14)28(33)34/h2-5,10-12H,6-9,13H2,1H3,(H,23,29)/b22-19+