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

Systemtic Name: 2-[(2-nitrophenyl)methyl-(3-nitrophenyl)sulfonyl-amino]propanoic acid Openeye Name: 2-[(2-nitrophenyl)methyl-(3-nitrophenyl)sulfonyl-amino]propanoic acid CAS Name: 2-[(2-nitrophenyl)methyl-(3-nitrophenyl)sulfonylamino]propanoic acid IUPAC Name: 2-[(2-nitrophenyl)methyl-(3-nitrophenyl)sulfonylamino]propanoic acid Traditional Name: 2-[(2-nitrobenzyl)-(3-nitrophenyl)sulfonyl-amino]propionic acid Formula: C16H15N3O8S MolecularWeight: 409.3706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3O8S/c1-11(16(20)21)17(10-12-5-2-3-8-15(12)19(24)25)28(26,27)14-7-4-6-13(9-14)18(22)23/h2-9,11H,10H2,1H3,(H,20,21)