ethyl 6-chloranyl-5-[(2-nitramido-4,5-dihydroimidazol-1-yl)methyl]-2-phenyl-pyridine-3-carboxylate

Systemtic Name: ethyl 6-chloranyl-5-[(2-nitramido-4,5-dihydroimidazol-1-yl)methyl]-2-phenyl-pyridine-3-carboxylate Openeye Name: ethyl 6-chloro-5-[(2-nitramido-4,5-dihydroimidazol-1-yl)methyl]-2-phenyl-pyridine-3-carboxylate CAS Name: 6-chloro-5-[(2-nitramido-4,5-dihydroimidazol-1-yl)methyl]-2-phenyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-chloro-5-[(2-nitramido-4,5-dihydroimidazol-1-yl)methyl]-2-phenylpyridine-3-carboxylate Traditional Name: 6-chloro-5-[(2-nitramido-2-imidazolin-1-yl)methyl]-2-phenyl-nicotinic acid ethyl ester Formula: C18H18ClN5O4 MolecularWeight: 403.81962

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(N=C1C2=CC=CC=C2)Cl)CN3CCN=C3N[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=C(N=C1C2=CC=CC=C2)Cl)CN3CCN=C3N[N+](=O)[O-]

InChI

InChI=1S/C18H18ClN5O4/c1-2-28-17(25)14-10-13(11-23-9-8-20-18(23)22-24(26)27)16(19)21-15(14)12-6-4-3-5-7-12/h3-7,10H,2,8-9,11H2,1H3,(H,20,22)