2-[3-[(2,4-dinitrophenyl)amino]propanimidoyloxy]ethanesulfonic acid

Systemtic Name: 2-[3-[(2,4-dinitrophenyl)amino]propanimidoyloxy]ethanesulfonic acid Openeye Name: 2-[3-(2,4-dinitroanilino)propanimidoyloxy]ethanesulfonic acid CAS Name: 2-[3-(2,4-dinitroanilino)-1-iminopropoxy]ethanesulfonic acid IUPAC Name: 2-[3-(2,4-dinitroanilino)propanimidoyloxy]ethanesulfonic acid Traditional Name: 2-[3-(2,4-dinitroanilino)propanimidoyloxy]ethanesulfonic acid Formula: C11H14N4O8S MolecularWeight: 362.31586

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NCCC(=N)OCCS(=O)(=O)O

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NCCC(=N)OCCS(=O)(=O)O

InChI

InChI=1S/C11H14N4O8S/c12-11(23-5-6-24(20,21)22)3-4-13-9-2-1-8(14(16)17)7-10(9)15(18)19/h1-2,7,12-13H,3-6H2,(H,20,21,22)