4-[(3-nitrophenyl)methylamino]butanoic acid

Systemtic Name: 4-[(3-nitrophenyl)methylamino]butanoic acid Openeye Name: 4-[(3-nitrophenyl)methylamino]butanoic acid CAS Name: 4-[(3-nitrophenyl)methylamino]butanoic acid IUPAC Name: 4-[(3-nitrophenyl)methylamino]butanoic acid Traditional Name: 4-[(3-nitrobenzyl)amino]butyric acid Formula: C11H14N2O4 MolecularWeight: 238.23986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14N2O4/c14-11(15)5-2-6-12-8-9-3-1-4-10(7-9)13(16)17/h1,3-4,7,12H,2,5-6,8H2,(H,14,15)