4-[2-[(4-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide

Systemtic Name: 4-[2-[(4-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide Openeye Name: 4-[2-(4-methyl-3-nitro-anilino)-2-oxo-ethyl]sulfanyl-3-nitro-benzamide CAS Name: 4-[[2-(4-methyl-3-nitroanilino)-2-oxoethyl]thio]-3-nitrobenzamide IUPAC Name: 4-[2-(4-methyl-3-nitroanilino)-2-oxoethyl]sulfanyl-3-nitrobenzamide Traditional Name: 4-[[2-keto-2-(4-methyl-3-nitro-anilino)ethyl]thio]-3-nitro-benzamide Formula: C16H14N4O6S MolecularWeight: 390.37056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H14N4O6S/c1-9-2-4-11(7-12(9)19(23)24)18-15(21)8-27-14-5-3-10(16(17)22)6-13(14)20(25)26/h2-7H,8H2,1H3,(H2,17,22)(H,18,21)