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

Systemtic Name: (E)-2-acetamido-3-(4-bromanyl-3-nitro-phenyl)prop-2-enoic acid Openeye Name: (E)-2-acetamido-3-(4-bromo-3-nitro-phenyl)prop-2-enoic acid CAS Name: (E)-2-acetamido-3-(4-bromo-3-nitrophenyl)-2-propenoic acid IUPAC Name: (E)-2-acetamido-3-(4-bromo-3-nitrophenyl)prop-2-enoic acid Traditional Name: (E)-2-acetamido-3-(4-bromo-3-nitro-phenyl)acrylic acid Formula: C11H9BrN2O5 MolecularWeight: 329.10356

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H9BrN2O5/c1-6(15)13-9(11(16)17)4-7-2-3-8(12)10(5-7)14(18)19/h2-5H,1H3,(H,13,15)(H,16,17)/b9-4+