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

Systemtic Name: 4-butoxybenzoic acid; 7-nitroquinolin-8-ol Openeye Name: 4-butoxybenzoic acid; 7-nitroquinolin-8-ol CAS Name: 4-butoxybenzoic acid; 7-nitro-8-quinolinol IUPAC Name: 4-butoxybenzoic acid; 7-nitroquinolin-8-ol Traditional Name: 4-butoxybenzoic acid; 7-nitroquinolin-8-ol Formula: C20H20N2O6 MolecularWeight: 384.3826

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)O.C1=CC2=C(C(=C(C=C2)[N+](=O)[O-])O)N=C1

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)O.C1=CC2=C(C(=C(C=C2)[N+](=O)[O-])O)N=C1

InChI

InChI=1S/C11H14O3.C9H6N2O3/c1-2-3-8-14-10-6-4-9(5-7-10)11(12)13;12-9-7(11(13)14)4-3-6-2-1-5-10-8(6)9/h4-7H,2-3,8H2,1H3,(H,12,13);1-5,12H