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

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 4-(methylamino)-3-nitro-benzoate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 4-(methylamino)-3-nitro-benzoate CAS Name: 4-(methylamino)-3-nitrobenzoic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 4-(methylamino)-3-nitrobenzoate Traditional Name: 4-(methylamino)-3-nitro-benzoic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C14H14N4O5 MolecularWeight: 318.28476

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14N4O5/c1-8(16)10(6-15)13(19)7-23-14(20)9-3-4-11(17-2)12(5-9)18(21)22/h3-5,10,16-17H,7H2,1-2H3