3-nitro-4-(1-oxidanylpropan-2-ylamino)benzenecarbonitrile

Systemtic Name: 3-nitro-4-(1-oxidanylpropan-2-ylamino)benzenecarbonitrile Openeye Name: 4-[(2-hydroxy-1-methyl-ethyl)amino]-3-nitro-benzonitrile CAS Name: 4-(1-hydroxypropan-2-ylamino)-3-nitrobenzonitrile IUPAC Name: 4-(1-hydroxypropan-2-ylamino)-3-nitrobenzonitrile Traditional Name: 4-[(2-hydroxy-1-methyl-ethyl)amino]-3-nitro-benzonitrile Formula: C10H11N3O3 MolecularWeight: 221.21264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H11N3O3/c1-7(6-14)12-9-3-2-8(5-11)4-10(9)13(15)16/h2-4,7,12,14H,6H2,1H3