2-[(4-nitrophenyl)methyl-(3-nitrophenyl)sulfonyl-amino]ethanoic acid

Systemtic Name: 2-[(4-nitrophenyl)methyl-(3-nitrophenyl)sulfonyl-amino]ethanoic acid Openeye Name: 2-[(4-nitrophenyl)methyl-(3-nitrophenyl)sulfonyl-amino]acetic acid CAS Name: 2-[(4-nitrophenyl)methyl-(3-nitrophenyl)sulfonylamino]acetic acid IUPAC Name: 2-[(4-nitrophenyl)methyl-(3-nitrophenyl)sulfonylamino]acetic acid Traditional Name: 2-[(4-nitrobenzyl)-(3-nitrophenyl)sulfonyl-amino]acetic acid Formula: C15H13N3O8S MolecularWeight: 395.34402

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)N(CC2=CC=C(C=C2)[N+](=O)[O-])CC(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)N(CC2=CC=C(C=C2)[N+](=O)[O-])CC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C15H13N3O8S/c19-15(20)10-16(9-11-4-6-12(7-5-11)17(21)22)27(25,26)14-3-1-2-13(8-14)18(23)24/h1-8H,9-10H2,(H,19,20)