3-azanyl-5-ethoxy-benzoic acid; bicyclo[2.2.1]hepta-1,3,5-trien-7-one

Systemtic Name: 3-azanyl-5-ethoxy-benzoic acid; bicyclo[2.2.1]hepta-1,3,5-trien-7-one Openeye Name: 3-amino-5-ethoxy-benzoic acid; bicyclo[2.2.1]hepta-1,3,5-trien-7-one CAS Name: 3-amino-5-ethoxybenzoic acid; 7-bicyclo[2.2.1]hepta-1,3,5-trienone IUPAC Name: 3-amino-5-ethoxybenzoic acid; bicyclo[2.2.1]hepta-1,3,5-trien-7-one Traditional Name: 3-amino-5-ethoxy-benzoic acid; bicyclo[2.2.1]hepta-1,3,5-trien-7-one Formula: C16H15NO4 MolecularWeight: 285.2946

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1)N)C(=O)O.C1=CC2=CC=C1C2=O

Isomeric SMILES

CCOC1=CC(=CC(=C1)N)C(=O)O.C1=CC2=CC=C1C2=O

InChI

InChI=1S/C9H11NO3.C7H4O/c1-2-13-8-4-6(9(11)12)3-7(10)5-8;8-7-5-1-2-6(7)4-3-5/h3-5H,2,10H2,1H3,(H,11,12);1-4H