(4S)-2-azanyl-4-(4-methoxy-3-nitro-5-oxidanyl-phenyl)-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carbonitrile

Systemtic Name: (4S)-2-azanyl-4-(4-methoxy-3-nitro-5-oxidanyl-phenyl)-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carbonitrile Openeye Name: (4S)-2-amino-4-(3-hydroxy-4-methoxy-5-nitro-phenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile CAS Name: (4S)-2-amino-4-(3-hydroxy-4-methoxy-5-nitrophenyl)-5-oxo-4,6,7,8-tetrahydro-1-benzopyran-3-carbonitrile IUPAC Name: (4S)-2-amino-4-(3-hydroxy-4-methoxy-5-nitrophenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile Traditional Name: (4S)-2-amino-4-(3-hydroxy-4-methoxy-5-nitro-phenyl)-5-keto-4,6,7,8-tetrahydrochromene-3-carbonitrile Formula: C17H15N3O6 MolecularWeight: 357.3175

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1O)C2C(=C(OC3=C2C(=O)CCC3)N)C#N)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1O)[C@H]2C(=C(OC3=C2C(=O)CCC3)N)C#N)[N+](=O)[O-]

InChI

InChI=1S/C17H15N3O6/c1-25-16-10(20(23)24)5-8(6-12(16)22)14-9(7-18)17(19)26-13-4-2-3-11(21)15(13)14/h5-6,14,22H,2-4,19H2,1H3/t14-/m0/s1