3-[(2-methyl-5-nitro-phenyl)sulfonylamino]-3-phenyl-propanoic acid

Systemtic Name: 3-[(2-methyl-5-nitro-phenyl)sulfonylamino]-3-phenyl-propanoic acid Openeye Name: 3-[(2-methyl-5-nitro-phenyl)sulfonylamino]-3-phenyl-propanoic acid CAS Name: 3-[(2-methyl-5-nitrophenyl)sulfonylamino]-3-phenylpropanoic acid IUPAC Name: 3-[(2-methyl-5-nitrophenyl)sulfonylamino]-3-phenylpropanoic acid Traditional Name: 3-[(2-methyl-5-nitro-phenyl)sulfonylamino]-3-phenyl-propionic acid Formula: C16H16N2O6S MolecularWeight: 364.37304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC(CC(=O)O)C2=CC=CC=C2

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC(CC(=O)O)C2=CC=CC=C2

InChI

InChI=1S/C16H16N2O6S/c1-11-7-8-13(18(21)22)9-15(11)25(23,24)17-14(10-16(19)20)12-5-3-2-4-6-12/h2-9,14,17H,10H2,1H3,(H,19,20)