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

Systemtic Name: 4-[(3-methyl-2-nitro-phenyl)carbonylamino]butanoic acid Openeye Name: 4-[(3-methyl-2-nitro-benzoyl)amino]butanoic acid CAS Name: 4-[[(3-methyl-2-nitrophenyl)-oxomethyl]amino]butanoic acid IUPAC Name: 4-[(3-methyl-2-nitrobenzoyl)amino]butanoic acid Traditional Name: 4-[(3-methyl-2-nitro-benzoyl)amino]butyric acid Formula: C12H14N2O5 MolecularWeight: 266.24996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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