2-[6-[(4-nitrophenyl)methyl]-1,3-benzodioxol-5-yl]ethanoic acid

Systemtic Name: 2-[6-[(4-nitrophenyl)methyl]-1,3-benzodioxol-5-yl]ethanoic acid Openeye Name: 2-[6-[(4-nitrophenyl)methyl]-1,3-benzodioxol-5-yl]acetic acid CAS Name: 2-[6-[(4-nitrophenyl)methyl]-1,3-benzodioxol-5-yl]acetic acid IUPAC Name: 2-[6-[(4-nitrophenyl)methyl]-1,3-benzodioxol-5-yl]acetic acid Traditional Name: 2-[6-(4-nitrobenzyl)-1,3-benzodioxol-5-yl]acetic acid Formula: C16H13NO6 MolecularWeight: 315.27752

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)CC3=CC=C(C=C3)[N+](=O)[O-])CC(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)CC3=CC=C(C=C3)[N+](=O)[O-])CC(=O)O

InChI

InChI=1S/C16H13NO6/c18-16(19)8-12-7-15-14(22-9-23-15)6-11(12)5-10-1-3-13(4-2-10)17(20)21/h1-4,6-7H,5,8-9H2,(H,18,19)