5-butoxy-2-[(E)-2-nitroprop-1-enyl]benzoic acid

Systemtic Name: 5-butoxy-2-[(E)-2-nitroprop-1-enyl]benzoic acid Openeye Name: 5-butoxy-2-[(E)-2-nitroprop-1-enyl]benzoic acid CAS Name: 5-butoxy-2-[(E)-2-nitroprop-1-enyl]benzoic acid IUPAC Name: 5-butoxy-2-[(E)-2-nitroprop-1-enyl]benzoic acid Traditional Name: 5-butoxy-2-[(E)-2-nitroprop-1-enyl]benzoic acid Formula: C14H17NO5 MolecularWeight: 279.28848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCOC1=CC(=C(C=C1)/C=C(\C)/[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C14H17NO5/c1-3-4-7-20-12-6-5-11(8-10(2)15(18)19)13(9-12)14(16)17/h5-6,8-9H,3-4,7H2,1-2H3,(H,16,17)/b10-8+