4-methoxynaphthalene-1-carboxylic acid; 1-nitro-4-oxidanyl-3-oxabicyclo[2.2.2]octa-5,7-dien-2-one

Systemtic Name: 4-methoxynaphthalene-1-carboxylic acid; 1-nitro-4-oxidanyl-3-oxabicyclo[2.2.2]octa-5,7-dien-2-one Openeye Name: 4-hydroxy-1-nitro-3-oxabicyclo[2.2.2]octa-5,7-dien-2-one; 4-methoxynaphthalene-1-carboxylic acid CAS Name: 4-hydroxy-1-nitro-3-oxabicyclo[2.2.2]octa-5,7-dien-2-one; 4-methoxy-1-naphthalenecarboxylic acid IUPAC Name: 4-hydroxy-1-nitro-3-oxabicyclo[2.2.2]octa-5,7-dien-2-one; 4-methoxynaphthalene-1-carboxylic acid Traditional Name: 4-hydroxy-1-nitro-3-oxabicyclo[2.2.2]octa-5,7-dien-2-one; 4-methoxy-1-naphthoic acid Formula: C19H15NO8 MolecularWeight: 385.3243

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C2=CC=CC=C21)C(=O)O.C1=CC2(C=CC1(C(=O)O2)[N+](=O)[O-])O

Isomeric SMILES

COC1=CC=C(C2=CC=CC=C21)C(=O)O.C1=CC2(C=CC1(C(=O)O2)[N+](=O)[O-])O

InChI

InChI=1S/C12H10O3.C7H5NO5/c1-15-11-7-6-10(12(13)14)8-4-2-3-5-9(8)11;9-5-6(8(11)12)1-3-7(10,13-5)4-2-6/h2-7H,1H3,(H,13,14);1-4,10H