5-methyl-2-nitro-4-(3-propan-2-yloxypropoxy)benzoic acid

Systemtic Name: 5-methyl-2-nitro-4-(3-propan-2-yloxypropoxy)benzoic acid Openeye Name: 4-(3-isopropoxypropoxy)-5-methyl-2-nitro-benzoic acid CAS Name: 5-methyl-2-nitro-4-(3-propan-2-yloxypropoxy)benzoic acid IUPAC Name: 5-methyl-2-nitro-4-(3-propan-2-yloxypropoxy)benzoic acid Traditional Name: 4-(3-isopropoxypropoxy)-5-methyl-2-nitro-benzoic acid Formula: C14H19NO6 MolecularWeight: 297.30376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)C(=O)O)[N+](=O)[O-])OCCCOC(C)C

Isomeric SMILES

CC1=C(C=C(C(=C1)C(=O)O)[N+](=O)[O-])OCCCOC(C)C

InChI

InChI=1S/C14H19NO6/c1-9(2)20-5-4-6-21-13-8-12(15(18)19)11(14(16)17)7-10(13)3/h7-9H,4-6H2,1-3H3,(H,16,17)