(2S)-4-azanylidene-7,7-dimethyl-2-(6-nitro-1,3-benzodioxol-5-yl)-5-oxidanylidene-2,3,6,8-tetrahydrochromene-3-carbonitrile

Systemtic Name: (2S)-4-azanylidene-7,7-dimethyl-2-(6-nitro-1,3-benzodioxol-5-yl)-5-oxidanylidene-2,3,6,8-tetrahydrochromene-3-carbonitrile Openeye Name: (2S)-4-imino-7,7-dimethyl-2-(6-nitro-1,3-benzodioxol-5-yl)-5-oxo-2,3,6,8-tetrahydrochromene-3-carbonitrile CAS Name: (2S)-4-imino-7,7-dimethyl-2-(6-nitro-1,3-benzodioxol-5-yl)-5-oxo-2,3,6,8-tetrahydro-1-benzopyran-3-carbonitrile IUPAC Name: (2S)-4-imino-7,7-dimethyl-2-(6-nitro-1,3-benzodioxol-5-yl)-5-oxo-2,3,6,8-tetrahydrochromene-3-carbonitrile Traditional Name: (2S)-4-imino-5-keto-7,7-dimethyl-2-(6-nitro-1,3-benzodioxol-5-yl)-2,3,6,8-tetrahydrochromene-3-carbonitrile Formula: C19H17N3O6 MolecularWeight: 383.35478

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(=O)C1)C(=N)C(C(O2)C3=CC4=C(C=C3[N+](=O)[O-])OCO4)C#N)C

Isomeric SMILES

CC1(CC2=C(C(=O)C1)C(=N)C([C@H](O2)C3=CC4=C(C=C3[N+](=O)[O-])OCO4)C#N)C

InChI

InChI=1S/C19H17N3O6/c1-19(2)5-12(23)16-15(6-19)28-18(10(7-20)17(16)21)9-3-13-14(27-8-26-13)4-11(9)22(24)25/h3-4,10,18,21H,5-6,8H2,1-2H3/t10?,18-/m1/s1