5-nitro-2-(1-oxidanylbutan-2-ylamino)benzenecarbonitrile

Systemtic Name: 5-nitro-2-(1-oxidanylbutan-2-ylamino)benzenecarbonitrile Openeye Name: 2-[1-(hydroxymethyl)propylamino]-5-nitro-benzonitrile CAS Name: 2-(1-hydroxybutan-2-ylamino)-5-nitrobenzonitrile IUPAC Name: 2-(1-hydroxybutan-2-ylamino)-5-nitrobenzonitrile Traditional Name: 2-(1-methylolpropylamino)-5-nitro-benzonitrile Formula: C11H13N3O3 MolecularWeight: 235.23922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)NC1=C(C=C(C=C1)[N+](=O)[O-])C#N

Isomeric SMILES

CCC(CO)NC1=C(C=C(C=C1)[N+](=O)[O-])C#N

InChI

InChI=1S/C11H13N3O3/c1-2-9(7-15)13-11-4-3-10(14(16)17)5-8(11)6-12/h3-5,9,13,15H,2,7H2,1H3