(E)-3-(3-nitro-4-pentoxy-phenyl)prop-2-enoic acid

Systemtic Name: (E)-3-(3-nitro-4-pentoxy-phenyl)prop-2-enoic acid Openeye Name: (E)-3-(3-nitro-4-pentoxy-phenyl)prop-2-enoic acid CAS Name: (E)-3-(3-nitro-4-pentoxyphenyl)-2-propenoic acid IUPAC Name: (E)-3-(3-nitro-4-pentoxyphenyl)prop-2-enoic acid Traditional Name: (E)-3-(4-amoxy-3-nitro-phenyl)acrylic acid Formula: C14H17NO5 MolecularWeight: 279.28848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17NO5/c1-2-3-4-9-20-13-7-5-11(6-8-14(16)17)10-12(13)15(18)19/h5-8,10H,2-4,9H2,1H3,(H,16,17)/b8-6+