2-(2-methyl-5-nitro-imidazol-1-yl)ethyl (E)-3-phenylprop-2-enoate

Systemtic Name: 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl (E)-3-phenylprop-2-enoate Openeye Name: 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl (E)-3-phenylprop-2-enoate CAS Name: (E)-3-phenyl-2-propenoic acid 2-(2-methyl-5-nitro-1-imidazolyl)ethyl ester IUPAC Name: 2-(2-methyl-5-nitroimidazol-1-yl)ethyl (E)-3-phenylprop-2-enoate Traditional Name: (E)-3-phenylacrylic acid 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl ester Formula: C15H15N3O4 MolecularWeight: 301.2973

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1CCOC(=O)C=CC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(N1CCOC(=O)/C=C/C2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H15N3O4/c1-12-16-11-14(18(20)21)17(12)9-10-22-15(19)8-7-13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3/b8-7+