4-[(2-methyl-5-nitro-phenyl)amino]butanoate

Systemtic Name: 4-[(2-methyl-5-nitro-phenyl)amino]butanoate Openeye Name: 4-(2-methyl-5-nitro-anilino)butanoate CAS Name: 4-(2-methyl-5-nitroanilino)butanoate IUPAC Name: 4-(2-methyl-5-nitroanilino)butanoate Traditional Name: 4-(2-methyl-5-nitro-anilino)butyrate Formula: C11H13N2O4- MolecularWeight: 237.23192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14N2O4/c1-8-4-5-9(13(16)17)7-10(8)12-6-2-3-11(14)15/h4-5,7,12H,2-3,6H2,1H3,(H,14,15)/p-1