ethyl 2-methyl-3-[4-[(E)-2-(1-methyl-5-nitro-imidazol-2-yl)ethenyl]phenyl]-2-nitro-propanoate

Systemtic Name: ethyl 2-methyl-3-[4-[(E)-2-(1-methyl-5-nitro-imidazol-2-yl)ethenyl]phenyl]-2-nitro-propanoate Openeye Name: ethyl 2-methyl-3-[4-[(E)-2-(1-methyl-5-nitro-imidazol-2-yl)vinyl]phenyl]-2-nitro-propanoate CAS Name: 2-methyl-3-[4-[(E)-2-(1-methyl-5-nitro-2-imidazolyl)ethenyl]phenyl]-2-nitropropanoic acid ethyl ester IUPAC Name: ethyl 2-methyl-3-[4-[(E)-2-(1-methyl-5-nitroimidazol-2-yl)ethenyl]phenyl]-2-nitropropanoate Traditional Name: 2-methyl-3-[4-[(E)-2-(1-methyl-5-nitro-imidazol-2-yl)vinyl]phenyl]-2-nitro-propionic acid ethyl ester Formula: C18H20N4O6 MolecularWeight: 388.3746

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(CC1=CC=C(C=C1)C=CC2=NC=C(N2C)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C(C)(CC1=CC=C(C=C1)/C=C/C2=NC=C(N2C)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H20N4O6/c1-4-28-17(23)18(2,22(26)27)11-14-7-5-13(6-8-14)9-10-15-19-12-16(20(15)3)21(24)25/h5-10,12H,4,11H2,1-3H3/b10-9+