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

Systemtic Name: 4-[(2-cyano-4-nitro-phenyl)-methyl-amino]butanoic acid Openeye Name: 4-(2-cyano-N-methyl-4-nitro-anilino)butanoic acid CAS Name: 4-(2-cyano-N-methyl-4-nitroanilino)butanoic acid IUPAC Name: 4-(2-cyano-N-methyl-4-nitroanilino)butanoic acid Traditional Name: 4-(2-cyano-N-methyl-4-nitro-anilino)butyric acid Formula: C12H13N3O4 MolecularWeight: 263.24932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N3O4/c1-14(6-2-3-12(16)17)11-5-4-10(15(18)19)7-9(11)8-13/h4-5,7H,2-3,6H2,1H3,(H,16,17)