2-[[4-[(4-methyl-3,5-dinitro-phenyl)carbonylamino]phenyl]sulfonylamino]ethanoic acid

Systemtic Name: 2-[[4-[(4-methyl-3,5-dinitro-phenyl)carbonylamino]phenyl]sulfonylamino]ethanoic acid Openeye Name: 2-[[4-[(4-methyl-3,5-dinitro-benzoyl)amino]phenyl]sulfonylamino]acetic acid CAS Name: 2-[[4-[[(4-methyl-3,5-dinitrophenyl)-oxomethyl]amino]phenyl]sulfonylamino]acetic acid IUPAC Name: 2-[[4-[(4-methyl-3,5-dinitrobenzoyl)amino]phenyl]sulfonylamino]acetic acid Traditional Name: 2-[[4-[(4-methyl-3,5-dinitro-benzoyl)amino]phenyl]sulfonylamino]acetic acid Formula: C16H14N4O9S MolecularWeight: 438.36876

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N4O9S/c1-9-13(19(24)25)6-10(7-14(9)20(26)27)16(23)18-11-2-4-12(5-3-11)30(28,29)17-8-15(21)22/h2-7,17H,8H2,1H3,(H,18,23)(H,21,22)