4-[1,3-bis(oxidanyl)propan-2-ylamino]-3-nitro-benzenecarbonitrile

Systemtic Name: 4-[1,3-bis(oxidanyl)propan-2-ylamino]-3-nitro-benzenecarbonitrile Openeye Name: 4-[[2-hydroxy-1-(hydroxymethyl)ethyl]amino]-3-nitro-benzonitrile CAS Name: 4-(1,3-dihydroxypropan-2-ylamino)-3-nitrobenzonitrile IUPAC Name: 4-(1,3-dihydroxypropan-2-ylamino)-3-nitrobenzonitrile Traditional Name: 4-[(2-hydroxy-1-methylol-ethyl)amino]-3-nitro-benzonitrile Formula: C10H11N3O4 MolecularWeight: 237.21204

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C#N)[N+](=O)[O-])NC(CO)CO

Isomeric SMILES

C1=CC(=C(C=C1C#N)[N+](=O)[O-])NC(CO)CO

InChI

InChI=1S/C10H11N3O4/c11-4-7-1-2-9(10(3-7)13(16)17)12-8(5-14)6-15/h1-3,8,12,14-15H,5-6H2