2-azanyl-4-(5-nitrothiophen-2-yl)-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carbonitrile

Systemtic Name: 2-azanyl-4-(5-nitrothiophen-2-yl)-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carbonitrile Openeye Name: 2-amino-4-(5-nitro-2-thienyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile CAS Name: 2-amino-4-(5-nitro-2-thiophenyl)-5-oxo-4,6,7,8-tetrahydro-1-benzopyran-3-carbonitrile IUPAC Name: 2-amino-4-(5-nitrothiophen-2-yl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile Traditional Name: 2-amino-5-keto-4-(5-nitro-2-thienyl)-4,6,7,8-tetrahydrochromene-3-carbonitrile Formula: C14H11N3O4S MolecularWeight: 317.31984

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(C(=C(O2)N)C#N)C3=CC=C(S3)[N+](=O)[O-])C(=O)C1

Isomeric SMILES

C1CC2=C(C(C(=C(O2)N)C#N)C3=CC=C(S3)[N+](=O)[O-])C(=O)C1

InChI

InChI=1S/C14H11N3O4S/c15-6-7-12(10-4-5-11(22-10)17(19)20)13-8(18)2-1-3-9(13)21-14(7)16/h4-5,12H,1-3,16H2