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

Systemtic Name: 4-[(4-aminocarbonyl-2-nitro-phenyl)methylamino]butanoic acid Openeye Name: 4-[(4-carbamoyl-2-nitro-phenyl)methylamino]butanoic acid CAS Name: 4-[(4-carbamoyl-2-nitrophenyl)methylamino]butanoic acid IUPAC Name: 4-[(4-carbamoyl-2-nitrophenyl)methylamino]butanoic acid Traditional Name: 4-[(4-carbamoyl-2-nitro-benzyl)amino]butyric acid Formula: C12H15N3O5 MolecularWeight: 281.2646

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)N)[N+](=O)[O-])CNCCCC(=O)O

Isomeric SMILES

C1=CC(=C(C=C1C(=O)N)[N+](=O)[O-])CNCCCC(=O)O

InChI

InChI=1S/C12H15N3O5/c13-12(18)8-3-4-9(10(6-8)15(19)20)7-14-5-1-2-11(16)17/h3-4,6,14H,1-2,5,7H2,(H2,13,18)(H,16,17)