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

Systemtic Name: 4-(acetamidomethyl)-N-[(5-nitro-2-oxidanyl-phenyl)methyl]benzamide Openeye Name: 4-(acetamidomethyl)-N-[(2-hydroxy-5-nitro-phenyl)methyl]benzamide CAS Name: 4-(acetamidomethyl)-N-[(2-hydroxy-5-nitrophenyl)methyl]benzamide IUPAC Name: 4-(acetamidomethyl)-N-[(2-hydroxy-5-nitrophenyl)methyl]benzamide Traditional Name: 4-(acetamidomethyl)-N-(2-hydroxy-5-nitro-benzyl)benzamide Formula: C17H17N3O5 MolecularWeight: 343.33398

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC1=CC=C(C=C1)C(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])O

Isomeric SMILES

CC(=O)NCC1=CC=C(C=C1)C(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])O

InChI

InChI=1S/C17H17N3O5/c1-11(21)18-9-12-2-4-13(5-3-12)17(23)19-10-14-8-15(20(24)25)6-7-16(14)22/h2-8,22H,9-10H2,1H3,(H,18,21)(H,19,23)