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

Systemtic Name: 2-[2-[(3-methyl-4-nitro-phenyl)carbonylamino]ethanoylamino]ethanoic acid Openeye Name: 2-[[2-[(3-methyl-4-nitro-benzoyl)amino]acetyl]amino]acetic acid CAS Name: 2-[[2-[[(3-methyl-4-nitrophenyl)-oxomethyl]amino]-1-oxoethyl]amino]acetic acid IUPAC Name: 2-[[2-[(3-methyl-4-nitrobenzoyl)amino]acetyl]amino]acetic acid Traditional Name: 2-[[2-[(3-methyl-4-nitro-benzoyl)amino]acetyl]amino]acetic acid Formula: C12H13N3O6 MolecularWeight: 295.24812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N3O6/c1-7-4-8(2-3-9(7)15(20)21)12(19)14-5-10(16)13-6-11(17)18/h2-4H,5-6H2,1H3,(H,13,16)(H,14,19)(H,17,18)