3-methyl-4-nitro-N-(1-oxidanylbutan-2-yl)benzamide

Systemtic Name: 3-methyl-4-nitro-N-(1-oxidanylbutan-2-yl)benzamide Openeye Name: N-[1-(hydroxymethyl)propyl]-3-methyl-4-nitro-benzamide CAS Name: N-(1-hydroxybutan-2-yl)-3-methyl-4-nitrobenzamide IUPAC Name: N-(1-hydroxybutan-2-yl)-3-methyl-4-nitrobenzamide Traditional Name: 3-methyl-N-(1-methylolpropyl)-4-nitro-benzamide Formula: C12H16N2O4 MolecularWeight: 252.26644

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)NC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])C

Isomeric SMILES

CCC(CO)NC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])C

InChI

InChI=1S/C12H16N2O4/c1-3-10(7-15)13-12(16)9-4-5-11(14(17)18)8(2)6-9/h4-6,10,15H,3,7H2,1-2H3,(H,13,16)