methyl 2-[(3S,6R)-5-azanylidene-4,4,6-tricyano-3-(2-methoxy-2-oxidanylidene-ethyl)-3-methyl-cyclohexen-1-yl]ethanoate

Systemtic Name: methyl 2-[(3S,6R)-5-azanylidene-4,4,6-tricyano-3-(2-methoxy-2-oxidanylidene-ethyl)-3-methyl-cyclohexen-1-yl]ethanoate Openeye Name: methyl 2-[(3S,6R)-4,4,6-tricyano-5-imino-3-(2-methoxy-2-oxo-ethyl)-3-methyl-cyclohexen-1-yl]acetate CAS Name: 2-[(3S,6R)-4,4,6-tricyano-5-imino-3-(2-methoxy-2-oxoethyl)-3-methyl-1-cyclohexenyl]acetic acid methyl ester IUPAC Name: methyl 2-[(3S,6R)-4,4,6-tricyano-5-imino-3-(2-methoxy-2-oxoethyl)-3-methylcyclohexen-1-yl]acetate Traditional Name: 2-[(3S,6R)-4,4,6-tricyano-5-imino-3-(2-keto-2-methoxy-ethyl)-3-methyl-cyclohexen-1-yl]acetic acid methyl ester Formula: C16H16N4O4 MolecularWeight: 328.32264

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C=C(C(C(=N)C1(C#N)C#N)C#N)CC(=O)OC)CC(=O)OC

Isomeric SMILES

C[C@@]1(C=C([C@H](C(=N)C1(C#N)C#N)C#N)CC(=O)OC)CC(=O)OC

InChI

InChI=1S/C16H16N4O4/c1-15(6-13(22)24-3)5-10(4-12(21)23-2)11(7-17)14(20)16(15,8-18)9-19/h5,11,20H,4,6H2,1-3H3/t11-,15-/m1/s1