(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 4,5-dimethoxy-2-nitro-benzoate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 4,5-dimethoxy-2-nitro-benzoate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 4,5-dimethoxy-2-nitro-benzoate CAS Name: 4,5-dimethoxy-2-nitrobenzoic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 4,5-dimethoxy-2-nitrobenzoate Traditional Name: 4,5-dimethoxy-2-nitro-benzoic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C15H15N3O7 MolecularWeight: 349.2955

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15N3O7/c1-8(17)10(6-16)12(19)7-25-15(20)9-4-13(23-2)14(24-3)5-11(9)18(21)22/h4-5,10,17H,7H2,1-3H3