(E)-3-(5-nitro-2-propoxy-phenyl)prop-2-enoic acid

Systemtic Name: (E)-3-(5-nitro-2-propoxy-phenyl)prop-2-enoic acid Openeye Name: (E)-3-(5-nitro-2-propoxy-phenyl)prop-2-enoic acid CAS Name: (E)-3-(5-nitro-2-propoxyphenyl)-2-propenoic acid IUPAC Name: (E)-3-(5-nitro-2-propoxyphenyl)prop-2-enoic acid Traditional Name: (E)-3-(5-nitro-2-propoxy-phenyl)acrylic acid Formula: C12H13NO5 MolecularWeight: 251.23532

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)[N+](=O)[O-])C=CC(=O)O

Isomeric SMILES

CCCOC1=C(C=C(C=C1)[N+](=O)[O-])/C=C/C(=O)O

InChI

InChI=1S/C12H13NO5/c1-2-7-18-11-5-4-10(13(16)17)8-9(11)3-6-12(14)15/h3-6,8H,2,7H2,1H3,(H,14,15)/b6-3+