9-methoxy-6-nitro-8-oxidanyl-naphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid

Systemtic Name: 9-methoxy-6-nitro-8-oxidanyl-naphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid Openeye Name: 8-hydroxy-9-methoxy-6-nitro-naphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid CAS Name: 8-hydroxy-9-methoxy-6-nitro-5-naphtho[2,1-g][1,3]benzodioxolecarboxylic acid IUPAC Name: 8-hydroxy-9-methoxy-6-nitronaphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid Traditional Name: 8-hydroxy-9-methoxy-6-nitro-naphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid Formula: C17H11NO8 MolecularWeight: 357.27114

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=CC(=C3C(=CC4=C(C3=C2C=C1)OCO4)C(=O)O)[N+](=O)[O-])O

Isomeric SMILES

COC1=C(C2=CC(=C3C(=CC4=C(C3=C2C=C1)OCO4)C(=O)O)[N+](=O)[O-])O

InChI

InChI=1S/C17H11NO8/c1-24-11-3-2-7-8(15(11)19)4-10(18(22)23)13-9(17(20)21)5-12-16(14(7)13)26-6-25-12/h2-5,19H,6H2,1H3,(H,20,21)