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

Systemtic Name: 4-[methanoyl-(2-methyl-3-nitro-phenyl)amino]butanoic acid Openeye Name: 4-(N-formyl-2-methyl-3-nitro-anilino)butanoic acid CAS Name: 4-(N-formyl-2-methyl-3-nitroanilino)butanoic acid IUPAC Name: 4-(N-formyl-2-methyl-3-nitroanilino)butanoic acid Traditional Name: 4-(N-formyl-2-methyl-3-nitro-anilino)butyric acid Formula: C12H14N2O5 MolecularWeight: 266.24996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N2O5/c1-9-10(4-2-5-11(9)14(18)19)13(8-15)7-3-6-12(16)17/h2,4-5,8H,3,6-7H2,1H3,(H,16,17)