dioctyl 5-[[(5-nitropyridin-2-yl)amino]carbamoylamino]benzene-1,3-dicarboxylate

Systemtic Name: dioctyl 5-[[(5-nitropyridin-2-yl)amino]carbamoylamino]benzene-1,3-dicarboxylate Openeye Name: dioctyl 5-[[(5-nitro-2-pyridyl)amino]carbamoylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[[(5-nitro-2-pyridinyl)hydrazo]-oxomethyl]amino]benzene-1,3-dicarboxylic acid dioctyl ester IUPAC Name: dioctyl 5-[[(5-nitropyridin-2-yl)amino]carbamoylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[[(5-nitro-2-pyridyl)amino]carbamoylamino]benzene-1,3-dicarboxylic acid dioctyl ester Formula: C30H43N5O7 MolecularWeight: 585.69172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C1=CC(=CC(=C1)NC(=O)NNC2=NC=C(C=C2)[N+](=O)[O-])C(=O)OCCCCCCCC

Isomeric SMILES

CCCCCCCCOC(=O)C1=CC(=CC(=C1)NC(=O)NNC2=NC=C(C=C2)[N+](=O)[O-])C(=O)OCCCCCCCC

InChI

InChI=1S/C30H43N5O7/c1-3-5-7-9-11-13-17-41-28(36)23-19-24(29(37)42-18-14-12-10-8-6-4-2)21-25(20-23)32-30(38)34-33-27-16-15-26(22-31-27)35(39)40/h15-16,19-22H,3-14,17-18H2,1-2H3,(H,31,33)(H2,32,34,38)