ethyl 2-[(4-bromanyl-5-imidazol-1-yl-2-nitro-phenyl)amino]ethanoate

Systemtic Name: ethyl 2-[(4-bromanyl-5-imidazol-1-yl-2-nitro-phenyl)amino]ethanoate Openeye Name: ethyl 2-(4-bromo-5-imidazol-1-yl-2-nitro-anilino)acetate CAS Name: 2-[4-bromo-5-(1-imidazolyl)-2-nitroanilino]acetic acid ethyl ester IUPAC Name: ethyl 2-(4-bromo-5-imidazol-1-yl-2-nitroanilino)acetate Traditional Name: 2-(4-bromo-5-imidazol-1-yl-2-nitro-anilino)acetic acid ethyl ester Formula: C13H13BrN4O4 MolecularWeight: 369.17072

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC1=C(C=C(C(=C1)N2C=CN=C2)Br)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CNC1=C(C=C(C(=C1)N2C=CN=C2)Br)[N+](=O)[O-]

InChI

InChI=1S/C13H13BrN4O4/c1-2-22-13(19)7-16-10-6-11(17-4-3-15-8-17)9(14)5-12(10)18(20)21/h3-6,8,16H,2,7H2,1H3