4-(3-methylbutoxy)-3-nitro-benzoic acid

Systemtic Name: 4-(3-methylbutoxy)-3-nitro-benzoic acid Openeye Name: 4-isopentyloxy-3-nitro-benzoic acid CAS Name: 4-(3-methylbutoxy)-3-nitrobenzoic acid IUPAC Name: 4-(3-methylbutoxy)-3-nitrobenzoic acid Traditional Name: 4-isoamoxy-3-nitro-benzoic acid Formula: C12H15NO5 MolecularWeight: 253.2512

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C12H15NO5/c1-8(2)5-6-18-11-4-3-9(12(14)15)7-10(11)13(16)17/h3-4,7-8H,5-6H2,1-2H3,(H,14,15)