N-[(5-nitro-2-oxidanyl-phenyl)methyl]-3,4-dipropoxy-benzamide

Systemtic Name: N-[(5-nitro-2-oxidanyl-phenyl)methyl]-3,4-dipropoxy-benzamide Openeye Name: N-[(2-hydroxy-5-nitro-phenyl)methyl]-3,4-dipropoxy-benzamide CAS Name: N-[(2-hydroxy-5-nitrophenyl)methyl]-3,4-dipropoxybenzamide IUPAC Name: N-[(2-hydroxy-5-nitrophenyl)methyl]-3,4-dipropoxybenzamide Traditional Name: N-(2-hydroxy-5-nitro-benzyl)-3,4-dipropoxy-benzamide Formula: C20H24N2O6 MolecularWeight: 388.41436

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])O)OCCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])O)OCCC

InChI

InChI=1S/C20H24N2O6/c1-3-9-27-18-8-5-14(12-19(18)28-10-4-2)20(24)21-13-15-11-16(22(25)26)6-7-17(15)23/h5-8,11-12,23H,3-4,9-10,13H2,1-2H3,(H,21,24)