(E)-3-[[2-[(2-azanyl-3-methyl-5-nitro-phenyl)disulfanyl]-6-methyl-4-nitro-phenyl]amino]-1-(3-methoxyphenyl)but-2-en-1-one

Systemtic Name: (E)-3-[[2-[(2-azanyl-3-methyl-5-nitro-phenyl)disulfanyl]-6-methyl-4-nitro-phenyl]amino]-1-(3-methoxyphenyl)but-2-en-1-one Openeye Name: (E)-3-[2-[(2-amino-3-methyl-5-nitro-phenyl)disulfanyl]-6-methyl-4-nitro-anilino]-1-(3-methoxyphenyl)but-2-en-1-one CAS Name: (E)-3-[2-[(2-amino-3-methyl-5-nitrophenyl)disulfanyl]-6-methyl-4-nitroanilino]-1-(3-methoxyphenyl)-2-buten-1-one IUPAC Name: (E)-3-[2-[(2-amino-3-methyl-5-nitrophenyl)disulfanyl]-6-methyl-4-nitroanilino]-1-(3-methoxyphenyl)but-2-en-1-one Traditional Name: (E)-3-[2-[(2-amino-3-methyl-5-nitro-phenyl)disulfanyl]-6-methyl-4-nitro-anilino]-1-(3-methoxyphenyl)but-2-en-1-one Formula: C25H24N4O6S2 MolecularWeight: 540.61126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1N)SSC2=C(C(=CC(=C2)[N+](=O)[O-])C)NC(=CC(=O)C3=CC(=CC=C3)OC)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1N)SSC2=C(C(=CC(=C2)[N+](=O)[O-])C)N/C(=C/C(=O)C3=CC(=CC=C3)OC)/C)[N+](=O)[O-]

InChI

InChI=1S/C25H24N4O6S2/c1-14-8-18(28(31)32)12-22(24(14)26)36-37-23-13-19(29(33)34)9-15(2)25(23)27-16(3)10-21(30)17-6-5-7-20(11-17)35-4/h5-13,27H,26H2,1-4H3/b16-10+