2-(3-ethylpentoxycarbonyl)-3-nitro-benzoic acid

Systemtic Name: 2-(3-ethylpentoxycarbonyl)-3-nitro-benzoic acid Openeye Name: 2-(3-ethylpentoxycarbonyl)-3-nitro-benzoic acid CAS Name: 2-[3-ethylpentoxy(oxo)methyl]-3-nitrobenzoic acid IUPAC Name: 2-(3-ethylpentoxycarbonyl)-3-nitrobenzoic acid Traditional Name: 2-(3-ethylpentoxycarbonyl)-3-nitro-benzoic acid Formula: C15H19NO6 MolecularWeight: 309.31446

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19NO6/c1-3-10(4-2)8-9-22-15(19)13-11(14(17)18)6-5-7-12(13)16(20)21/h5-7,10H,3-4,8-9H2,1-2H3,(H,17,18)