methyl 5-chloranyl-3-nitro-2-(pentanoylamino)benzoate

Systemtic Name: methyl 5-chloranyl-3-nitro-2-(pentanoylamino)benzoate Openeye Name: methyl 5-chloro-3-nitro-2-(pentanoylamino)benzoate CAS Name: 5-chloro-3-nitro-2-(1-oxopentylamino)benzoic acid methyl ester IUPAC Name: methyl 5-chloro-3-nitro-2-(pentanoylamino)benzoate Traditional Name: 5-chloro-3-nitro-2-(valerylamino)benzoic acid methyl ester Formula: C13H15ClN2O5 MolecularWeight: 314.7216

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=C(C=C(C=C1C(=O)OC)Cl)[N+](=O)[O-]

Isomeric SMILES

CCCCC(=O)NC1=C(C=C(C=C1C(=O)OC)Cl)[N+](=O)[O-]

InChI

InChI=1S/C13H15ClN2O5/c1-3-4-5-11(17)15-12-9(13(18)21-2)6-8(14)7-10(12)16(19)20/h6-7H,3-5H2,1-2H3,(H,15,17)