(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 3-nitro-4-phenylsulfanyl-benzoate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 3-nitro-4-phenylsulfanyl-benzoate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 3-nitro-4-phenylsulfanyl-benzoate CAS Name: 3-nitro-4-(phenylthio)benzoic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 3-nitro-4-phenylsulfanylbenzoate Traditional Name: 3-nitro-4-(phenylthio)benzoic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C19H15N3O5S MolecularWeight: 397.4045

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)COC(=O)C1=CC(=C(C=C1)SC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)C1=CC(=C(C=C1)SC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H15N3O5S/c1-12(21)15(10-20)17(23)11-27-19(24)13-7-8-18(16(9-13)22(25)26)28-14-5-3-2-4-6-14/h2-9,15,21H,11H2,1H3