4-methylbenzoic acid; 7-nitroquinolin-8-ol

Systemtic Name: 4-methylbenzoic acid; 7-nitroquinolin-8-ol Openeye Name: 4-methylbenzoic acid; 7-nitroquinolin-8-ol CAS Name: 4-methylbenzoic acid; 7-nitro-8-quinolinol IUPAC Name: 4-methylbenzoic acid; 7-nitroquinolin-8-ol Traditional Name: 7-nitroquinolin-8-ol; p-toluic acid Formula: C17H14N2O5 MolecularWeight: 326.30346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H6N2O3.C8H8O2/c12-9-7(11(13)14)4-3-6-2-1-5-10-8(6)9;1-6-2-4-7(5-3-6)8(9)10/h1-5,12H;2-5H,1H3,(H,9,10)