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

Systemtic Name: 4-[(2-methyl-3-nitro-phenyl)amino]butanoic acid Openeye Name: 4-(2-methyl-3-nitro-anilino)butanoic acid CAS Name: 4-(2-methyl-3-nitroanilino)butanoic acid IUPAC Name: 4-(2-methyl-3-nitroanilino)butanoic acid Traditional Name: 4-(2-methyl-3-nitro-anilino)butyric acid Formula: C11H14N2O4 MolecularWeight: 238.23986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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