ethyl 1-(2-azanyl-5-imidazol-1-yl-4-nitro-phenyl)-5-methyl-imidazole-4-carboxylate

Systemtic Name: ethyl 1-(2-azanyl-5-imidazol-1-yl-4-nitro-phenyl)-5-methyl-imidazole-4-carboxylate Openeye Name: ethyl 1-(2-amino-5-imidazol-1-yl-4-nitro-phenyl)-5-methyl-imidazole-4-carboxylate CAS Name: 1-[2-amino-5-(1-imidazolyl)-4-nitrophenyl]-5-methyl-4-imidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2-amino-5-imidazol-1-yl-4-nitrophenyl)-5-methylimidazole-4-carboxylate Traditional Name: 1-(2-amino-5-imidazol-1-yl-4-nitro-phenyl)-5-methyl-imidazole-4-carboxylic acid ethyl ester Formula: C16H16N6O4 MolecularWeight: 356.33604

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C=N1)C2=CC(=C(C=C2N)[N+](=O)[O-])N3C=CN=C3)C

Isomeric SMILES

CCOC(=O)C1=C(N(C=N1)C2=CC(=C(C=C2N)[N+](=O)[O-])N3C=CN=C3)C

InChI

InChI=1S/C16H16N6O4/c1-3-26-16(23)15-10(2)21(9-19-15)12-7-13(20-5-4-18-8-20)14(22(24)25)6-11(12)17/h4-9H,3,17H2,1-2H3