(E)-2-acetamido-3-[3-(2,4-dinitrophenoxy)phenyl]prop-2-enoic acid

Systemtic Name: (E)-2-acetamido-3-[3-(2,4-dinitrophenoxy)phenyl]prop-2-enoic acid Openeye Name: (E)-2-acetamido-3-[3-(2,4-dinitrophenoxy)phenyl]prop-2-enoic acid CAS Name: (E)-2-acetamido-3-[3-(2,4-dinitrophenoxy)phenyl]-2-propenoic acid IUPAC Name: (E)-2-acetamido-3-[3-(2,4-dinitrophenoxy)phenyl]prop-2-enoic acid Traditional Name: (E)-2-acetamido-3-[3-(2,4-dinitrophenoxy)phenyl]acrylic acid Formula: C17H13N3O8 MolecularWeight: 387.30042

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(=CC1=CC(=CC=C1)OC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC(=O)N/C(=C/C1=CC(=CC=C1)OC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])/C(=O)O

InChI

InChI=1S/C17H13N3O8/c1-10(21)18-14(17(22)23)8-11-3-2-4-13(7-11)28-16-6-5-12(19(24)25)9-15(16)20(26)27/h2-9H,1H3,(H,18,21)(H,22,23)/b14-8+