(2-chloranyl-4-nitro-phenyl)methyl 4-methyl-3-(propanoylamino)benzoate

Systemtic Name: (2-chloranyl-4-nitro-phenyl)methyl 4-methyl-3-(propanoylamino)benzoate Openeye Name: (2-chloro-4-nitro-phenyl)methyl 4-methyl-3-(propanoylamino)benzoate CAS Name: 4-methyl-3-(1-oxopropylamino)benzoic acid (2-chloro-4-nitrophenyl)methyl ester IUPAC Name: (2-chloro-4-nitrophenyl)methyl 4-methyl-3-(propanoylamino)benzoate Traditional Name: 4-methyl-3-propionamido-benzoic acid (2-chloro-4-nitro-benzyl) ester Formula: C18H17ClN2O5 MolecularWeight: 376.79098

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(C=CC(=C1)C(=O)OCC2=C(C=C(C=C2)[N+](=O)[O-])Cl)C

Isomeric SMILES

CCC(=O)NC1=C(C=CC(=C1)C(=O)OCC2=C(C=C(C=C2)[N+](=O)[O-])Cl)C

InChI

InChI=1S/C18H17ClN2O5/c1-3-17(22)20-16-8-12(5-4-11(16)2)18(23)26-10-13-6-7-14(21(24)25)9-15(13)19/h4-9H,3,10H2,1-2H3,(H,20,22)