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

Systemtic Name: 4-[(2-chloranyl-5-nitro-phenyl)carbonyl-methyl-amino]butanoic acid Openeye Name: 4-[(2-chloro-5-nitro-benzoyl)-methyl-amino]butanoic acid CAS Name: 4-[[(2-chloro-5-nitrophenyl)-oxomethyl]-methylamino]butanoic acid IUPAC Name: 4-[(2-chloro-5-nitrobenzoyl)-methylamino]butanoic acid Traditional Name: 4-[(2-chloro-5-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)[N+](=O)[O-])Cl

Isomeric SMILES

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

InChI

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