(2S)-4-azanylidene-7,7-dimethyl-2-(3-nitrophenyl)-5-oxidanylidene-2,3,6,8-tetrahydrochromene-3-carbonitrile

Systemtic Name: (2S)-4-azanylidene-7,7-dimethyl-2-(3-nitrophenyl)-5-oxidanylidene-2,3,6,8-tetrahydrochromene-3-carbonitrile Openeye Name: (2S)-4-imino-7,7-dimethyl-2-(3-nitrophenyl)-5-oxo-2,3,6,8-tetrahydrochromene-3-carbonitrile CAS Name: (2S)-4-imino-7,7-dimethyl-2-(3-nitrophenyl)-5-oxo-2,3,6,8-tetrahydro-1-benzopyran-3-carbonitrile IUPAC Name: (2S)-4-imino-7,7-dimethyl-2-(3-nitrophenyl)-5-oxo-2,3,6,8-tetrahydrochromene-3-carbonitrile Traditional Name: (2S)-4-imino-5-keto-7,7-dimethyl-2-(3-nitrophenyl)-2,3,6,8-tetrahydrochromene-3-carbonitrile Formula: C18H17N3O4 MolecularWeight: 339.34528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O4/c1-18(2)7-13(22)15-14(8-18)25-17(12(9-19)16(15)20)10-4-3-5-11(6-10)21(23)24/h3-6,12,17,20H,7-8H2,1-2H3/t12?,17-/m1/s1