[4-(ethylcarbamoyl)-2-nitro-phenyl] 4-chloranylbutanoate

Systemtic Name: [4-(ethylcarbamoyl)-2-nitro-phenyl] 4-chloranylbutanoate Openeye Name: [4-(ethylcarbamoyl)-2-nitro-phenyl] 4-chlorobutanoate CAS Name: 4-chlorobutanoic acid [4-(ethylcarbamoyl)-2-nitrophenyl] ester IUPAC Name: [4-(ethylcarbamoyl)-2-nitrophenyl] 4-chlorobutanoate Traditional Name: 4-chlorobutyric acid [4-(ethylcarbamoyl)-2-nitro-phenyl] ester Formula: C13H15ClN2O5 MolecularWeight: 314.7216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1=CC(=C(C=C1)OC(=O)CCCCl)[N+](=O)[O-]

Isomeric SMILES

CCNC(=O)C1=CC(=C(C=C1)OC(=O)CCCCl)[N+](=O)[O-]

InChI

InChI=1S/C13H15ClN2O5/c1-2-15-13(18)9-5-6-11(10(8-9)16(19)20)21-12(17)4-3-7-14/h5-6,8H,2-4,7H2,1H3,(H,15,18)