3,5-dinitro-N-[(E)-[2-oxidanylidene-1-(piperidin-1-ylmethyl)indol-3-ylidene]amino]benzamide

Systemtic Name: 3,5-dinitro-N-[(E)-[2-oxidanylidene-1-(piperidin-1-ylmethyl)indol-3-ylidene]amino]benzamide Openeye Name: 3,5-dinitro-N-[(E)-[2-oxo-1-(1-piperidylmethyl)indolin-3-ylidene]amino]benzamide CAS Name: 3,5-dinitro-N-[(E)-[2-oxo-1-(1-piperidinylmethyl)-3-indolylidene]amino]benzamide IUPAC Name: 3,5-dinitro-N-[(E)-[2-oxo-1-(piperidin-1-ylmethyl)indol-3-ylidene]amino]benzamide Traditional Name: N-[(E)-[2-keto-1-(piperidinomethyl)indolin-3-ylidene]amino]-3,5-dinitro-benzamide Formula: C21H20N6O6 MolecularWeight: 452.4201

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CN2C3=CC=CC=C3C(=NNC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-])C2=O

Isomeric SMILES

C1CCN(CC1)CN2C3=CC=CC=C3/C(=N\NC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-])/C2=O

InChI

InChI=1S/C21H20N6O6/c28-20(14-10-15(26(30)31)12-16(11-14)27(32)33)23-22-19-17-6-2-3-7-18(17)25(21(19)29)13-24-8-4-1-5-9-24/h2-3,6-7,10-12H,1,4-5,8-9,13H2,(H,23,28)/b22-19+