2-[2-[(2-chloranyl-4-nitro-phenoxy)methyl]-4-oxidanylidene-quinazolin-3-yl]ethanenitrile

Systemtic Name: 2-[2-[(2-chloranyl-4-nitro-phenoxy)methyl]-4-oxidanylidene-quinazolin-3-yl]ethanenitrile Openeye Name: 2-[2-[(2-chloro-4-nitro-phenoxy)methyl]-4-oxo-quinazolin-3-yl]acetonitrile CAS Name: 2-[2-[(2-chloro-4-nitrophenoxy)methyl]-4-oxo-3-quinazolinyl]acetonitrile IUPAC Name: 2-[2-[(2-chloro-4-nitrophenoxy)methyl]-4-oxoquinazolin-3-yl]acetonitrile Traditional Name: 2-[2-[(2-chloro-4-nitro-phenoxy)methyl]-4-keto-quinazolin-3-yl]acetonitrile Formula: C17H11ClN4O4 MolecularWeight: 370.74664

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)COC3=C(C=C(C=C3)[N+](=O)[O-])Cl)CC#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)COC3=C(C=C(C=C3)[N+](=O)[O-])Cl)CC#N

InChI

InChI=1S/C17H11ClN4O4/c18-13-9-11(22(24)25)5-6-15(13)26-10-16-20-14-4-2-1-3-12(14)17(23)21(16)8-7-19/h1-6,9H,8,10H2