2-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanenitrile

Systemtic Name: 2-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanenitrile Openeye Name: 2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetonitrile CAS Name: 2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetonitrile IUPAC Name: 2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetonitrile Traditional Name: 2-(3-keto-6-nitro-1,4-benzoxazin-4-yl)acetonitrile Formula: C10H7N3O4 MolecularWeight: 233.18028

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C2=C(O1)C=CC(=C2)[N+](=O)[O-])CC#N

Isomeric SMILES

C1C(=O)N(C2=C(O1)C=CC(=C2)[N+](=O)[O-])CC#N

InChI

InChI=1S/C10H7N3O4/c11-3-4-12-8-5-7(13(15)16)1-2-9(8)17-6-10(12)14/h1-2,5H,4,6H2