1-[5-[(E)-2-azanylethenyl]-2,3-dimethyl-4-nitro-phenyl]-2-bromanyl-ethanone

Systemtic Name: 1-[5-[(E)-2-azanylethenyl]-2,3-dimethyl-4-nitro-phenyl]-2-bromanyl-ethanone Openeye Name: 1-[5-[(E)-2-aminovinyl]-2,3-dimethyl-4-nitro-phenyl]-2-bromo-ethanone CAS Name: 1-[5-[(E)-2-aminoethenyl]-2,3-dimethyl-4-nitrophenyl]-2-bromoethanone IUPAC Name: 1-[5-[(E)-2-aminoethenyl]-2,3-dimethyl-4-nitrophenyl]-2-bromoethanone Traditional Name: 1-[5-[(E)-2-aminovinyl]-2,3-dimethyl-4-nitro-phenyl]-2-bromo-ethanone Formula: C12H13BrN2O3 MolecularWeight: 313.14722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1C(=O)CBr)C=CN)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C(=C(C=C1C(=O)CBr)/C=C/N)[N+](=O)[O-])C

InChI

InChI=1S/C12H13BrN2O3/c1-7-8(2)12(15(17)18)9(3-4-14)5-10(7)11(16)6-13/h3-5H,6,14H2,1-2H3/b4-3+