4-[(2-methyl-1-oxidanyl-propan-2-yl)amino]-3-nitro-benzenecarbonitrile

Systemtic Name: 4-[(2-methyl-1-oxidanyl-propan-2-yl)amino]-3-nitro-benzenecarbonitrile Openeye Name: 4-[(2-hydroxy-1,1-dimethyl-ethyl)amino]-3-nitro-benzonitrile CAS Name: 4-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-nitrobenzonitrile IUPAC Name: 4-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-nitrobenzonitrile Traditional Name: 4-[(2-hydroxy-1,1-dimethyl-ethyl)amino]-3-nitro-benzonitrile Formula: C11H13N3O3 MolecularWeight: 235.23922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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