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

Systemtic Name: (E)-2-acetamido-3-(4-methoxy-3-nitro-phenyl)prop-2-enoic acid Openeye Name: (E)-2-acetamido-3-(4-methoxy-3-nitro-phenyl)prop-2-enoic acid CAS Name: (E)-2-acetamido-3-(4-methoxy-3-nitrophenyl)-2-propenoic acid IUPAC Name: (E)-2-acetamido-3-(4-methoxy-3-nitrophenyl)prop-2-enoic acid Traditional Name: (E)-2-acetamido-3-(4-methoxy-3-nitro-phenyl)acrylic acid Formula: C12H12N2O6 MolecularWeight: 280.23348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N2O6/c1-7(15)13-9(12(16)17)5-8-3-4-11(20-2)10(6-8)14(18)19/h3-6H,1-2H3,(H,13,15)(H,16,17)/b9-5+