(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 2-[(4-azanyl-3-nitro-phenyl)sulfonylamino]ethanoate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 2-[(4-azanyl-3-nitro-phenyl)sulfonylamino]ethanoate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 2-[(4-amino-3-nitro-phenyl)sulfonylamino]acetate CAS Name: 2-[(4-amino-3-nitrophenyl)sulfonylamino]acetic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 2-[(4-amino-3-nitrophenyl)sulfonylamino]acetate Traditional Name: 2-[(4-amino-3-nitro-phenyl)sulfonylamino]acetic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C14H15N5O7S MolecularWeight: 397.3632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15N5O7S/c1-8(16)10(5-15)13(20)7-26-14(21)6-18-27(24,25)9-2-3-11(17)12(4-9)19(22)23/h2-4,10,16,18H,6-7,17H2,1H3