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

Systemtic Name: ethyl 2-[(5-imidazol-1-yl-2-nitro-4-phenylmethoxy-phenyl)amino]ethanoate Openeye Name: ethyl 2-(4-benzyloxy-5-imidazol-1-yl-2-nitro-anilino)acetate CAS Name: 2-[5-(1-imidazolyl)-2-nitro-4-phenylmethoxyanilino]acetic acid ethyl ester IUPAC Name: ethyl 2-(5-imidazol-1-yl-2-nitro-4-phenylmethoxyanilino)acetate Traditional Name: 2-(4-benzoxy-5-imidazol-1-yl-2-nitro-anilino)acetic acid ethyl ester Formula: C20H20N4O5 MolecularWeight: 396.3966

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC1=C(C=C(C(=C1)N2C=CN=C2)OCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CNC1=C(C=C(C(=C1)N2C=CN=C2)OCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O5/c1-2-28-20(25)12-22-16-10-18(23-9-8-21-14-23)19(11-17(16)24(26)27)29-13-15-6-4-3-5-7-15/h3-11,14,22H,2,12-13H2,1H3