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

Systemtic Name: 2-[(3-chloranyl-4-nitro-phenyl)sulfonyl-[(4-nitrophenyl)methyl]amino]propanoic acid Openeye Name: 2-[(3-chloro-4-nitro-phenyl)sulfonyl-[(4-nitrophenyl)methyl]amino]propanoic acid CAS Name: 2-[(3-chloro-4-nitrophenyl)sulfonyl-[(4-nitrophenyl)methyl]amino]propanoic acid IUPAC Name: 2-[(3-chloro-4-nitrophenyl)sulfonyl-[(4-nitrophenyl)methyl]amino]propanoic acid Traditional Name: 2-[(3-chloro-4-nitro-phenyl)sulfonyl-(4-nitrobenzyl)amino]propionic acid Formula: C16H14ClN3O8S MolecularWeight: 443.81566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14ClN3O8S/c1-10(16(21)22)18(9-11-2-4-12(5-3-11)19(23)24)29(27,28)13-6-7-15(20(25)26)14(17)8-13/h2-8,10H,9H2,1H3,(H,21,22)