[(2-nitro-5-propylsulfanyl-phenyl)iminomethylamino] 2-(methoxycarbonylamino)ethanesulfonate

Systemtic Name: [(2-nitro-5-propylsulfanyl-phenyl)iminomethylamino] 2-(methoxycarbonylamino)ethanesulfonate Openeye Name: [(2-nitro-5-propylsulfanyl-phenyl)iminomethylamino] 2-(methoxycarbonylamino)ethanesulfonate CAS Name: 2-(methoxycarbonylamino)ethanesulfonic acid [[2-nitro-5-(propylthio)phenyl]iminomethylamino] ester IUPAC Name: [(2-nitro-5-propylsulfanylphenyl)iminomethylamino] 2-(methoxycarbonylamino)ethanesulfonate Traditional Name: 2-(carbomethoxyamino)ethanesulfonic acid [[2-nitro-5-(propylthio)phenyl]iminomethylamino] ester Formula: C14H20N4O7S2 MolecularWeight: 420.4612

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=CC(=C(C=C1)[N+](=O)[O-])N=CNOS(=O)(=O)CCNC(=O)OC

Isomeric SMILES

CCCSC1=CC(=C(C=C1)[N+](=O)[O-])N=CNOS(=O)(=O)CCNC(=O)OC

InChI

InChI=1S/C14H20N4O7S2/c1-3-7-26-11-4-5-13(18(20)21)12(9-11)16-10-17-25-27(22,23)8-6-15-14(19)24-2/h4-5,9-10H,3,6-8H2,1-2H3,(H,15,19)(H,16,17)