N-[(3-methoxy-4-nitro-phenyl)methyl]-5-nitro-2-[(4-oxidanylcyclohexyl)amino]benzamide

Systemtic Name: N-[(3-methoxy-4-nitro-phenyl)methyl]-5-nitro-2-[(4-oxidanylcyclohexyl)amino]benzamide Openeye Name: 2-[(4-hydroxycyclohexyl)amino]-N-[(3-methoxy-4-nitro-phenyl)methyl]-5-nitro-benzamide CAS Name: 2-[(4-hydroxycyclohexyl)amino]-N-[(3-methoxy-4-nitrophenyl)methyl]-5-nitrobenzamide IUPAC Name: 2-[(4-hydroxycyclohexyl)amino]-N-[(3-methoxy-4-nitrophenyl)methyl]-5-nitrobenzamide Traditional Name: 2-[(4-hydroxycyclohexyl)amino]-N-(3-methoxy-4-nitro-benzyl)-5-nitro-benzamide Formula: C21H24N4O7 MolecularWeight: 444.43786

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NC3CCC(CC3)O)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)CNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NC3CCC(CC3)O)[N+](=O)[O-]

InChI

InChI=1S/C21H24N4O7/c1-32-20-10-13(2-9-19(20)25(30)31)12-22-21(27)17-11-15(24(28)29)5-8-18(17)23-14-3-6-16(26)7-4-14/h2,5,8-11,14,16,23,26H,3-4,6-7,12H2,1H3,(H,22,27)