(6-chloranylpyridin-3-yl)methyl 4-(methylamino)-3-nitro-benzoate

Systemtic Name: (6-chloranylpyridin-3-yl)methyl 4-(methylamino)-3-nitro-benzoate Openeye Name: (6-chloro-3-pyridyl)methyl 4-(methylamino)-3-nitro-benzoate CAS Name: 4-(methylamino)-3-nitrobenzoic acid (6-chloro-3-pyridinyl)methyl ester IUPAC Name: (6-chloropyridin-3-yl)methyl 4-(methylamino)-3-nitrobenzoate Traditional Name: 4-(methylamino)-3-nitro-benzoic acid (6-chloro-3-pyridyl)methyl ester Formula: C14H12ClN3O4 MolecularWeight: 321.71578

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C(=O)OCC2=CN=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)C(=O)OCC2=CN=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C14H12ClN3O4/c1-16-11-4-3-10(6-12(11)18(20)21)14(19)22-8-9-2-5-13(15)17-7-9/h2-7,16H,8H2,1H3