ethyl (E)-3-[[2-[(2-azanyl-3-methyl-5-nitro-phenyl)disulfanyl]-6-methyl-4-nitro-phenyl]amino]but-2-enoate

Systemtic Name: ethyl (E)-3-[[2-[(2-azanyl-3-methyl-5-nitro-phenyl)disulfanyl]-6-methyl-4-nitro-phenyl]amino]but-2-enoate Openeye Name: ethyl (E)-3-[2-[(2-amino-3-methyl-5-nitro-phenyl)disulfanyl]-6-methyl-4-nitro-anilino]but-2-enoate CAS Name: (E)-3-[2-[(2-amino-3-methyl-5-nitrophenyl)disulfanyl]-6-methyl-4-nitroanilino]-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[2-[(2-amino-3-methyl-5-nitrophenyl)disulfanyl]-6-methyl-4-nitroanilino]but-2-enoate Traditional Name: (E)-3-[2-[(2-amino-3-methyl-5-nitro-phenyl)disulfanyl]-6-methyl-4-nitro-anilino]but-2-enoic acid ethyl ester Formula: C20H22N4O6S2 MolecularWeight: 478.54188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=C(C)NC1=C(C=C(C=C1C)[N+](=O)[O-])SSC2=C(C(=CC(=C2)[N+](=O)[O-])C)N

Isomeric SMILES

CCOC(=O)/C=C(\C)/NC1=C(C=C(C=C1C)[N+](=O)[O-])SSC2=C(C(=CC(=C2)[N+](=O)[O-])C)N

InChI

InChI=1S/C20H22N4O6S2/c1-5-30-18(25)8-13(4)22-20-12(3)7-15(24(28)29)10-17(20)32-31-16-9-14(23(26)27)6-11(2)19(16)21/h6-10,22H,5,21H2,1-4H3/b13-8+