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

Systemtic Name: 4-(2-methylpropanoylamino)-N-[(5-nitro-2-oxidanyl-phenyl)methyl]benzamide Openeye Name: N-[(2-hydroxy-5-nitro-phenyl)methyl]-4-(2-methylpropanoylamino)benzamide CAS Name: N-[(2-hydroxy-5-nitrophenyl)methyl]-4-[(2-methyl-1-oxopropyl)amino]benzamide IUPAC Name: N-[(2-hydroxy-5-nitrophenyl)methyl]-4-(2-methylpropanoylamino)benzamide Traditional Name: N-(2-hydroxy-5-nitro-benzyl)-4-(isobutyrylamino)benzamide Formula: C18H19N3O5 MolecularWeight: 357.36056

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC=C(C=C1)C(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])O

Isomeric SMILES

CC(C)C(=O)NC1=CC=C(C=C1)C(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])O

InChI

InChI=1S/C18H19N3O5/c1-11(2)17(23)20-14-5-3-12(4-6-14)18(24)19-10-13-9-15(21(25)26)7-8-16(13)22/h3-9,11,22H,10H2,1-2H3,(H,19,24)(H,20,23)