(1-phenylpyrazol-4-yl)methyl 2-(2-methoxyethylamino)-5-nitro-benzoate

Systemtic Name: (1-phenylpyrazol-4-yl)methyl 2-(2-methoxyethylamino)-5-nitro-benzoate Openeye Name: (1-phenylpyrazol-4-yl)methyl 2-(2-methoxyethylamino)-5-nitro-benzoate CAS Name: 2-(2-methoxyethylamino)-5-nitrobenzoic acid (1-phenyl-4-pyrazolyl)methyl ester IUPAC Name: (1-phenylpyrazol-4-yl)methyl 2-(2-methoxyethylamino)-5-nitrobenzoate Traditional Name: 2-(2-methoxyethylamino)-5-nitro-benzoic acid (1-phenylpyrazol-4-yl)methyl ester Formula: C20H20N4O5 MolecularWeight: 396.3966

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC2=CN(N=C2)C3=CC=CC=C3

Isomeric SMILES

COCCNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC2=CN(N=C2)C3=CC=CC=C3

InChI

InChI=1S/C20H20N4O5/c1-28-10-9-21-19-8-7-17(24(26)27)11-18(19)20(25)29-14-15-12-22-23(13-15)16-5-3-2-4-6-16/h2-8,11-13,21H,9-10,14H2,1H3