2-[(6-azanyl-3-oxidanylidene-1,4-benzoxazin-4-yl)methyl]benzenecarbonitrile

Systemtic Name: 2-[(6-azanyl-3-oxidanylidene-1,4-benzoxazin-4-yl)methyl]benzenecarbonitrile Openeye Name: 2-[(6-amino-3-oxo-1,4-benzoxazin-4-yl)methyl]benzonitrile CAS Name: 2-[(6-amino-3-oxo-1,4-benzoxazin-4-yl)methyl]benzonitrile IUPAC Name: 2-[(6-amino-3-oxo-1,4-benzoxazin-4-yl)methyl]benzonitrile Traditional Name: 2-[(6-amino-3-keto-1,4-benzoxazin-4-yl)methyl]benzonitrile Formula: C16H13N3O2 MolecularWeight: 279.29332

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C2=C(O1)C=CC(=C2)N)CC3=CC=CC=C3C#N

Isomeric SMILES

C1C(=O)N(C2=C(O1)C=CC(=C2)N)CC3=CC=CC=C3C#N

InChI

InChI=1S/C16H13N3O2/c17-8-11-3-1-2-4-12(11)9-19-14-7-13(18)5-6-15(14)21-10-16(19)20/h1-7H,9-10,18H2