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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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