(6-chloranylpyridin-3-yl)methyl 2-(diethylamino)-5-nitro-benzoate

Systemtic Name: (6-chloranylpyridin-3-yl)methyl 2-(diethylamino)-5-nitro-benzoate Openeye Name: (6-chloro-3-pyridyl)methyl 2-(diethylamino)-5-nitro-benzoate CAS Name: 2-(diethylamino)-5-nitrobenzoic acid (6-chloro-3-pyridinyl)methyl ester IUPAC Name: (6-chloropyridin-3-yl)methyl 2-(diethylamino)-5-nitrobenzoate Traditional Name: 2-(diethylamino)-5-nitro-benzoic acid (6-chloro-3-pyridyl)methyl ester Formula: C17H18ClN3O4 MolecularWeight: 363.79552

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC2=CN=C(C=C2)Cl

Isomeric SMILES

CCN(CC)C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC2=CN=C(C=C2)Cl

InChI

InChI=1S/C17H18ClN3O4/c1-3-20(4-2)15-7-6-13(21(23)24)9-14(15)17(22)25-11-12-5-8-16(18)19-10-12/h5-10H,3-4,11H2,1-2H3