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

Systemtic Name: 3-[(3-methyl-4-nitro-phenyl)amino]butanoic acid Openeye Name: 3-(3-methyl-4-nitro-anilino)butanoic acid CAS Name: 3-(3-methyl-4-nitroanilino)butanoic acid IUPAC Name: 3-(3-methyl-4-nitroanilino)butanoic acid Traditional Name: 3-(3-methyl-4-nitro-anilino)butyric acid Formula: C11H14N2O4 MolecularWeight: 238.23986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(C)CC(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)NC(C)CC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C11H14N2O4/c1-7-5-9(3-4-10(7)13(16)17)12-8(2)6-11(14)15/h3-5,8,12H,6H2,1-2H3,(H,14,15)