2-[(3,5-dinitrophenyl)amino]-6,6-dimethyl-4-oxidanylidene-5,8-dihydrothiopyrano[2,3-c]pyran-3-carbonitrile

Systemtic Name: 2-[(3,5-dinitrophenyl)amino]-6,6-dimethyl-4-oxidanylidene-5,8-dihydrothiopyrano[2,3-c]pyran-3-carbonitrile Openeye Name: 2-(3,5-dinitroanilino)-6,6-dimethyl-4-oxo-5,8-dihydrothiopyrano[2,3-c]pyran-3-carbonitrile CAS Name: 2-(3,5-dinitroanilino)-6,6-dimethyl-4-oxo-5,8-dihydrothiopyrano[2,3-c]pyran-3-carbonitrile IUPAC Name: 2-(3,5-dinitroanilino)-6,6-dimethyl-4-oxo-5,8-dihydrothiopyrano[2,3-c]pyran-3-carbonitrile Traditional Name: 2-(3,5-dinitroanilino)-4-keto-6,6-dimethyl-5,8-dihydrothiopyrano[2,3-c]pyran-3-carbonitrile Formula: C17H14N4O6S MolecularWeight: 402.38126

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(CO1)SC(=C(C2=O)C#N)NC3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])C

Isomeric SMILES

CC1(CC2=C(CO1)SC(=C(C2=O)C#N)NC3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])C

InChI

InChI=1S/C17H14N4O6S/c1-17(2)6-12-14(8-27-17)28-16(13(7-18)15(12)22)19-9-3-10(20(23)24)5-11(4-9)21(25)26/h3-5,19H,6,8H2,1-2H3