4-[(5-chloranyl-2-nitro-phenyl)carbonyl-methyl-amino]butanoic acid

Systemtic Name: 4-[(5-chloranyl-2-nitro-phenyl)carbonyl-methyl-amino]butanoic acid Openeye Name: 4-[(5-chloro-2-nitro-benzoyl)-methyl-amino]butanoic acid CAS Name: 4-[[(5-chloro-2-nitrophenyl)-oxomethyl]-methylamino]butanoic acid IUPAC Name: 4-[(5-chloro-2-nitrobenzoyl)-methylamino]butanoic acid Traditional Name: 4-[(5-chloro-2-nitro-benzoyl)-methyl-amino]butyric acid Formula: C12H13ClN2O5 MolecularWeight: 300.69502

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC(=O)O)C(=O)C1=C(C=CC(=C1)Cl)[N+](=O)[O-]

Isomeric SMILES

CN(CCCC(=O)O)C(=O)C1=C(C=CC(=C1)Cl)[N+](=O)[O-]

InChI

InChI=1S/C12H13ClN2O5/c1-14(6-2-3-11(16)17)12(18)9-7-8(13)4-5-10(9)15(19)20/h4-5,7H,2-3,6H2,1H3,(H,16,17)