3-nitro-4-oxidanyl-5-propanoyl-benzenecarbonitrile

Systemtic Name: 3-nitro-4-oxidanyl-5-propanoyl-benzenecarbonitrile Openeye Name: 4-hydroxy-3-nitro-5-propanoyl-benzonitrile CAS Name: 4-hydroxy-3-nitro-5-(1-oxopropyl)benzonitrile IUPAC Name: 4-hydroxy-3-nitro-5-propanoylbenzonitrile Traditional Name: 4-hydroxy-3-nitro-5-propionyl-benzonitrile Formula: C10H8N2O4 MolecularWeight: 220.18152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H8N2O4/c1-2-9(13)7-3-6(5-11)4-8(10(7)14)12(15)16/h3-4,14H,2H2,1H3