2-azanyl-4-(6-nitro-1,3-benzodioxol-5-yl)-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carbonitrile; methanol

Systemtic Name: 2-azanyl-4-(6-nitro-1,3-benzodioxol-5-yl)-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carbonitrile; methanol Openeye Name: 2-amino-4-(6-nitro-1,3-benzodioxol-5-yl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile; methanol CAS Name: 2-amino-4-(6-nitro-1,3-benzodioxol-5-yl)-5-oxo-4,6,7,8-tetrahydro-1-benzopyran-3-carbonitrile; methanol IUPAC Name: 2-amino-4-(6-nitro-1,3-benzodioxol-5-yl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile; methanol Traditional Name: 2-amino-5-keto-4-(6-nitro-1,3-benzodioxol-5-yl)-4,6,7,8-tetrahydrochromene-3-carbonitrile; methanol Formula: C18H17N3O7 MolecularWeight: 387.34348

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Descriptors Computed from Structure

Canonical SMILES:

CO.C1CC2=C(C(C(=C(O2)N)C#N)C3=CC4=C(C=C3[N+](=O)[O-])OCO4)C(=O)C1

Isomeric SMILES

CO.C1CC2=C(C(C(=C(O2)N)C#N)C3=CC4=C(C=C3[N+](=O)[O-])OCO4)C(=O)C1

InChI

InChI=1S/C17H13N3O6.CH4O/c18-6-9-15(16-11(21)2-1-3-12(16)26-17(9)19)8-4-13-14(25-7-24-13)5-10(8)20(22)23;1-2/h4-5,15H,1-3,7,19H2;2H,1H3