2-[[2-methoxy-5-[(Z)-C-methyl-N-[(3-nitrophenyl)amino]carbonimidoyl]phenyl]methylsulfanyl]ethanoate

Systemtic Name: 2-[[2-methoxy-5-[(Z)-C-methyl-N-[(3-nitrophenyl)amino]carbonimidoyl]phenyl]methylsulfanyl]ethanoate Openeye Name: 2-[[2-methoxy-5-[(Z)-C-methyl-N-(3-nitroanilino)carbonimidoyl]phenyl]methylsulfanyl]acetate CAS Name: 2-[[2-methoxy-5-[(1Z)-1-[(3-nitrophenyl)hydrazinylidene]ethyl]phenyl]methylthio]acetate IUPAC Name: 2-[[2-methoxy-5-[(Z)-C-methyl-N-(3-nitroanilino)carbonimidoyl]phenyl]methylsulfanyl]acetate Traditional Name: 2-[[2-methoxy-5-[(Z)-C-methyl-N-(3-nitroanilino)carbonimidoyl]benzyl]thio]acetate Formula: C18H18N3O5S- MolecularWeight: 388.41762

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC1=CC(=CC=C1)[N+](=O)[O-])C2=CC(=C(C=C2)OC)CSCC(=O)[O-]

Isomeric SMILES

C/C(=N/NC1=CC(=CC=C1)[N+](=O)[O-])/C2=CC(=C(C=C2)OC)CSCC(=O)[O-]

InChI

InChI=1S/C18H19N3O5S/c1-12(19-20-15-4-3-5-16(9-15)21(24)25)13-6-7-17(26-2)14(8-13)10-27-11-18(22)23/h3-9,20H,10-11H2,1-2H3,(H,22,23)/p-1/b19-12-