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

Systemtic Name: 2-[[4-[(3-methyl-4-nitro-phenyl)carbonylamino]phenyl]sulfonylamino]ethanoic acid Openeye Name: 2-[[4-[(3-methyl-4-nitro-benzoyl)amino]phenyl]sulfonylamino]acetic acid CAS Name: 2-[[4-[[(3-methyl-4-nitrophenyl)-oxomethyl]amino]phenyl]sulfonylamino]acetic acid IUPAC Name: 2-[[4-[(3-methyl-4-nitrobenzoyl)amino]phenyl]sulfonylamino]acetic acid Traditional Name: 2-[[4-[(3-methyl-4-nitro-benzoyl)amino]phenyl]sulfonylamino]acetic acid Formula: C16H15N3O7S MolecularWeight: 393.3712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C16H15N3O7S/c1-10-8-11(2-7-14(10)19(23)24)16(22)18-12-3-5-13(6-4-12)27(25,26)17-9-15(20)21/h2-8,17H,9H2,1H3,(H,18,22)(H,20,21)