2-[(4-methoxy-2-nitro-3-pentoxy-phenyl)methylidene]propanedioic acid

Systemtic Name: 2-[(4-methoxy-2-nitro-3-pentoxy-phenyl)methylidene]propanedioic acid Openeye Name: 2-[(4-methoxy-2-nitro-3-pentoxy-phenyl)methylene]propanedioic acid CAS Name: 2-[(4-methoxy-2-nitro-3-pentoxyphenyl)methylidene]propanedioic acid IUPAC Name: 2-[(4-methoxy-2-nitro-3-pentoxyphenyl)methylidene]propanedioic acid Traditional Name: 2-(3-amoxy-4-methoxy-2-nitro-benzylidene)malonic acid Formula: C16H19NO8 MolecularWeight: 353.32396

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=CC(=C1[N+](=O)[O-])C=C(C(=O)O)C(=O)O)OC

Isomeric SMILES

CCCCCOC1=C(C=CC(=C1[N+](=O)[O-])C=C(C(=O)O)C(=O)O)OC

InChI

InChI=1S/C16H19NO8/c1-3-4-5-8-25-14-12(24-2)7-6-10(13(14)17(22)23)9-11(15(18)19)16(20)21/h6-7,9H,3-5,8H2,1-2H3,(H,18,19)(H,20,21)