N-[2-[[5-tert-butyl-2-(2-methylphenyl)pyrazol-3-yl]amino]-2-oxidanylidene-ethyl]-N-(furan-2-ylmethyl)-3,5-dinitro-benzamide

Systemtic Name: N-[2-[[5-tert-butyl-2-(2-methylphenyl)pyrazol-3-yl]amino]-2-oxidanylidene-ethyl]-N-(furan-2-ylmethyl)-3,5-dinitro-benzamide Openeye Name: N-[2-[[5-tert-butyl-2-(o-tolyl)pyrazol-3-yl]amino]-2-oxo-ethyl]-N-(2-furylmethyl)-3,5-dinitro-benzamide CAS Name: N-[2-[[5-tert-butyl-2-(2-methylphenyl)-3-pyrazolyl]amino]-2-oxoethyl]-N-(2-furanylmethyl)-3,5-dinitrobenzamide IUPAC Name: N-[2-[[5-tert-butyl-2-(2-methylphenyl)pyrazol-3-yl]amino]-2-oxoethyl]-N-(furan-2-ylmethyl)-3,5-dinitrobenzamide Traditional Name: N-[2-[[5-tert-butyl-2-(o-tolyl)pyrazol-3-yl]amino]-2-keto-ethyl]-N-(2-furfuryl)-3,5-dinitro-benzamide Formula: C28H28N6O7 MolecularWeight: 560.55792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=CC(=N2)C(C)(C)C)NC(=O)CN(CC3=CC=CO3)C(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1N2C(=CC(=N2)C(C)(C)C)NC(=O)CN(CC3=CC=CO3)C(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C28H28N6O7/c1-18-8-5-6-10-23(18)32-25(15-24(30-32)28(2,3)4)29-26(35)17-31(16-22-9-7-11-41-22)27(36)19-12-20(33(37)38)14-21(13-19)34(39)40/h5-15H,16-17H2,1-4H3,(H,29,35)