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

Systemtic Name: (2-chloranyl-4-nitro-phenyl)methyl 4-(propanoylamino)benzoate Openeye Name: (2-chloro-4-nitro-phenyl)methyl 4-(propanoylamino)benzoate CAS Name: 4-(1-oxopropylamino)benzoic acid (2-chloro-4-nitrophenyl)methyl ester IUPAC Name: (2-chloro-4-nitrophenyl)methyl 4-(propanoylamino)benzoate Traditional Name: 4-propionamidobenzoic acid (2-chloro-4-nitro-benzyl) ester Formula: C17H15ClN2O5 MolecularWeight: 362.7644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15ClN2O5/c1-2-16(21)19-13-6-3-11(4-7-13)17(22)25-10-12-5-8-14(20(23)24)9-15(12)18/h3-9H,2,10H2,1H3,(H,19,21)