3-[(4-methoxy-2-nitro-phenyl)amino]butanoic acid

Systemtic Name: 3-[(4-methoxy-2-nitro-phenyl)amino]butanoic acid Openeye Name: 3-(4-methoxy-2-nitro-anilino)butanoic acid CAS Name: 3-(4-methoxy-2-nitroanilino)butanoic acid IUPAC Name: 3-(4-methoxy-2-nitroanilino)butanoic acid Traditional Name: 3-(4-methoxy-2-nitro-anilino)butyric acid Formula: C11H14N2O5 MolecularWeight: 254.23926

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)NC1=C(C=C(C=C1)OC)[N+](=O)[O-]

Isomeric SMILES

CC(CC(=O)O)NC1=C(C=C(C=C1)OC)[N+](=O)[O-]

InChI

InChI=1S/C11H14N2O5/c1-7(5-11(14)15)12-9-4-3-8(18-2)6-10(9)13(16)17/h3-4,6-7,12H,5H2,1-2H3,(H,14,15)