2-azanyl-4-(1,3-benzodioxol-5-yl)-3-nitro-4,6,7,8-tetrahydrochromen-5-one

Systemtic Name: 2-azanyl-4-(1,3-benzodioxol-5-yl)-3-nitro-4,6,7,8-tetrahydrochromen-5-one Openeye Name: 2-amino-4-(1,3-benzodioxol-5-yl)-3-nitro-4,6,7,8-tetrahydrochromen-5-one CAS Name: 2-amino-4-(1,3-benzodioxol-5-yl)-3-nitro-4,6,7,8-tetrahydro-1-benzopyran-5-one IUPAC Name: 2-amino-4-(1,3-benzodioxol-5-yl)-3-nitro-4,6,7,8-tetrahydrochromen-5-one Traditional Name: 2-amino-4-(1,3-benzodioxol-5-yl)-3-nitro-4,6,7,8-tetrahydrochromen-5-one Formula: C16H14N2O6 MolecularWeight: 330.29216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N2O6/c17-16-15(18(20)21)13(14-9(19)2-1-3-11(14)24-16)8-4-5-10-12(6-8)23-7-22-10/h4-6,13H,1-3,7,17H2