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

Systemtic Name: (E)-4-[[2-[(2-azanyl-3-methyl-5-nitro-phenyl)disulfanyl]-6-methyl-4-nitro-phenyl]amino]pent-3-en-2-one Openeye Name: (E)-4-[2-[(2-amino-3-methyl-5-nitro-phenyl)disulfanyl]-6-methyl-4-nitro-anilino]pent-3-en-2-one CAS Name: (E)-4-[2-[(2-amino-3-methyl-5-nitrophenyl)disulfanyl]-6-methyl-4-nitroanilino]-3-penten-2-one IUPAC Name: (E)-4-[2-[(2-amino-3-methyl-5-nitrophenyl)disulfanyl]-6-methyl-4-nitroanilino]pent-3-en-2-one Traditional Name: (E)-4-[2-[(2-amino-3-methyl-5-nitro-phenyl)disulfanyl]-6-methyl-4-nitro-anilino]pent-3-en-2-one Formula: C19H20N4O5S2 MolecularWeight: 448.5159

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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)C)C)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C19H20N4O5S2/c1-10-5-14(22(25)26)8-16(18(10)20)29-30-17-9-15(23(27)28)6-11(2)19(17)21-12(3)7-13(4)24/h5-9,21H,20H2,1-4H3/b12-7+