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

Systemtic Name: 2-[(3-chloranyl-4-nitro-phenyl)sulfonyl-[(4-nitrophenyl)methyl]amino]ethanoic acid Openeye Name: 2-[(3-chloro-4-nitro-phenyl)sulfonyl-[(4-nitrophenyl)methyl]amino]acetic acid CAS Name: 2-[(3-chloro-4-nitrophenyl)sulfonyl-[(4-nitrophenyl)methyl]amino]acetic acid IUPAC Name: 2-[(3-chloro-4-nitrophenyl)sulfonyl-[(4-nitrophenyl)methyl]amino]acetic acid Traditional Name: 2-[(3-chloro-4-nitro-phenyl)sulfonyl-(4-nitrobenzyl)amino]acetic acid Formula: C15H12ClN3O8S MolecularWeight: 429.78908

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN(CC(=O)O)S(=O)(=O)C2=CC(=C(C=C2)[N+](=O)[O-])Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CN(CC(=O)O)S(=O)(=O)C2=CC(=C(C=C2)[N+](=O)[O-])Cl)[N+](=O)[O-]

InChI

InChI=1S/C15H12ClN3O8S/c16-13-7-12(5-6-14(13)19(24)25)28(26,27)17(9-15(20)21)8-10-1-3-11(4-2-10)18(22)23/h1-7H,8-9H2,(H,20,21)