4-[(2-aminocarbonyl-4-nitro-phenyl)-methyl-amino]butanoic acid

Systemtic Name: 4-[(2-aminocarbonyl-4-nitro-phenyl)-methyl-amino]butanoic acid Openeye Name: 4-(2-carbamoyl-N-methyl-4-nitro-anilino)butanoic acid CAS Name: 4-(2-carbamoyl-N-methyl-4-nitroanilino)butanoic acid IUPAC Name: 4-(2-carbamoyl-N-methyl-4-nitroanilino)butanoic acid Traditional Name: 4-(2-carbamoyl-N-methyl-4-nitro-anilino)butyric acid Formula: C12H15N3O5 MolecularWeight: 281.2646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15N3O5/c1-14(6-2-3-11(16)17)10-5-4-8(15(19)20)7-9(10)12(13)18/h4-5,7H,2-3,6H2,1H3,(H2,13,18)(H,16,17)