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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N2O5/c1-7-5-9(3-4-10(7)14(18)19)12(17)13-8(2)6-11(15)16/h3-5,8H,6H2,1-2H3,(H,13,17)(H,15,16)