2-[(6-nitroquinazolin-2-yl)amino]-2-phenyl-ethanenitrile

Systemtic Name: 2-[(6-nitroquinazolin-2-yl)amino]-2-phenyl-ethanenitrile Openeye Name: 2-[(6-nitroquinazolin-2-yl)amino]-2-phenyl-acetonitrile CAS Name: 2-[(6-nitro-2-quinazolinyl)amino]-2-phenylacetonitrile IUPAC Name: 2-[(6-nitroquinazolin-2-yl)amino]-2-phenylacetonitrile Traditional Name: 2-[(6-nitroquinazolin-2-yl)amino]-2-phenyl-acetonitrile Formula: C16H11N5O2 MolecularWeight: 305.29084

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C#N)NC2=NC=C3C=C(C=CC3=N2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(C#N)NC2=NC=C3C=C(C=CC3=N2)[N+](=O)[O-]

InChI

InChI=1S/C16H11N5O2/c17-9-15(11-4-2-1-3-5-11)20-16-18-10-12-8-13(21(22)23)6-7-14(12)19-16/h1-8,10,15H,(H,18,19,20)