4-[(7-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)methyl]benzenecarbonitrile

Systemtic Name: 4-[(7-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)methyl]benzenecarbonitrile Openeye Name: 4-[(7-nitro-3-oxo-1,4-benzoxazin-4-yl)methyl]benzonitrile CAS Name: 4-[(7-nitro-3-oxo-1,4-benzoxazin-4-yl)methyl]benzonitrile IUPAC Name: 4-[(7-nitro-3-oxo-1,4-benzoxazin-4-yl)methyl]benzonitrile Traditional Name: 4-[(3-keto-7-nitro-1,4-benzoxazin-4-yl)methyl]benzonitrile Formula: C16H11N3O4 MolecularWeight: 309.27624

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C2=C(O1)C=C(C=C2)[N+](=O)[O-])CC3=CC=C(C=C3)C#N

Isomeric SMILES

C1C(=O)N(C2=C(O1)C=C(C=C2)[N+](=O)[O-])CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C16H11N3O4/c17-8-11-1-3-12(4-2-11)9-18-14-6-5-13(19(21)22)7-15(14)23-10-16(18)20/h1-7H,9-10H2