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

Systemtic Name: 3-[(4-methyl-2-nitro-3-phenylmethoxy-phenyl)carbonylamino]propanoic acid Openeye Name: 3-[(3-benzyloxy-4-methyl-2-nitro-benzoyl)amino]propanoic acid CAS Name: 3-[[(4-methyl-2-nitro-3-phenylmethoxyphenyl)-oxomethyl]amino]propanoic acid IUPAC Name: 3-[(4-methyl-2-nitro-3-phenylmethoxybenzoyl)amino]propanoic acid Traditional Name: 3-[(3-benzoxy-4-methyl-2-nitro-benzoyl)amino]propionic acid Formula: C18H18N2O6 MolecularWeight: 358.34532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C(=O)NCCC(=O)O)[N+](=O)[O-])OCC2=CC=CC=C2

Isomeric SMILES

CC1=C(C(=C(C=C1)C(=O)NCCC(=O)O)[N+](=O)[O-])OCC2=CC=CC=C2

InChI

InChI=1S/C18H18N2O6/c1-12-7-8-14(18(23)19-10-9-15(21)22)16(20(24)25)17(12)26-11-13-5-3-2-4-6-13/h2-8H,9-11H2,1H3,(H,19,23)(H,21,22)