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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)NCC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CC(CC(=O)O)NCC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C11H14N2O4/c1-8(6-11(14)15)12-7-9-2-4-10(5-3-9)13(16)17/h2-5,8,12H,6-7H2,1H3,(H,14,15)