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

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

Systemtic Name:4-[methanoyl-(3-methyl-2-nitro-phenyl)amino]butanoic acid
Openeye Name:4-(N-formyl-3-methyl-2-nitro-anilino)butanoic acid
CAS Name:4-(N-formyl-3-methyl-2-nitroanilino)butanoic acid
IUPAC Name:4-(N-formyl-3-methyl-2-nitroanilino)butanoic acid
Traditional Name:4-(N-formyl-3-methyl-2-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(CCCC(=O)O)C=O)[N+](=O)[O-]


Isomeric SMILES

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


InChI

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


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