2-(2-methyl-8-nitro-6-oxidanylidene-benzo[b][1,4]benzoxazepin-5-yl)ethanenitrile

Systemtic Name: 2-(2-methyl-8-nitro-6-oxidanylidene-benzo[b][1,4]benzoxazepin-5-yl)ethanenitrile Openeye Name: 2-(2-methyl-8-nitro-6-oxo-benzo[b][1,4]benzoxazepin-5-yl)acetonitrile CAS Name: 2-(2-methyl-8-nitro-6-oxo-5-benzo[b][1,4]benzoxazepinyl)acetonitrile IUPAC Name: 2-(2-methyl-8-nitro-6-oxobenzo[b][1,4]benzoxazepin-5-yl)acetonitrile Traditional Name: 2-(6-keto-2-methyl-8-nitro-benzo[b][1,4]benzoxazepin-5-yl)acetonitrile Formula: C16H11N3O4 MolecularWeight: 309.27624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=O)C3=C(O2)C=CC(=C3)[N+](=O)[O-])CC#N

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=O)C3=C(O2)C=CC(=C3)[N+](=O)[O-])CC#N

InChI

InChI=1S/C16H11N3O4/c1-10-2-4-13-15(8-10)23-14-5-3-11(19(21)22)9-12(14)16(20)18(13)7-6-17/h2-5,8-9H,7H2,1H3