4-ethyl-N-[(5-nitro-2-oxidanyl-phenyl)methyl]benzamide

Systemtic Name: 4-ethyl-N-[(5-nitro-2-oxidanyl-phenyl)methyl]benzamide Openeye Name: 4-ethyl-N-[(2-hydroxy-5-nitro-phenyl)methyl]benzamide CAS Name: 4-ethyl-N-[(2-hydroxy-5-nitrophenyl)methyl]benzamide IUPAC Name: 4-ethyl-N-[(2-hydroxy-5-nitrophenyl)methyl]benzamide Traditional Name: 4-ethyl-N-(2-hydroxy-5-nitro-benzyl)benzamide Formula: C16H16N2O4 MolecularWeight: 300.30924

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])O

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])O

InChI

InChI=1S/C16H16N2O4/c1-2-11-3-5-12(6-4-11)16(20)17-10-13-9-14(18(21)22)7-8-15(13)19/h3-9,19H,2,10H2,1H3,(H,17,20)