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

Systemtic Name: ethyl 2-[(3S)-5-azanylidene-4,4,6-tricyano-3-(2-ethoxy-2-oxidanylidene-ethyl)-3-methyl-cyclohexen-1-yl]ethanoate Openeye Name: ethyl 2-[(3S)-4,4,6-tricyano-3-(2-ethoxy-2-oxo-ethyl)-5-imino-3-methyl-cyclohexen-1-yl]acetate CAS Name: 2-[(3S)-4,4,6-tricyano-3-(2-ethoxy-2-oxoethyl)-5-imino-3-methyl-1-cyclohexenyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[(3S)-4,4,6-tricyano-3-(2-ethoxy-2-oxoethyl)-5-imino-3-methylcyclohexen-1-yl]acetate Traditional Name: 2-[(3S)-4,4,6-tricyano-3-(2-ethoxy-2-keto-ethyl)-5-imino-3-methyl-cyclohexen-1-yl]acetic acid ethyl ester Formula: C18H20N4O4 MolecularWeight: 356.3758

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=CC(C(C(=N)C1C#N)(C#N)C#N)(C)CC(=O)OCC

Isomeric SMILES

CCOC(=O)CC1=C[C@](C(C(=N)C1C#N)(C#N)C#N)(C)CC(=O)OCC

InChI

InChI=1S/C18H20N4O4/c1-4-25-14(23)6-12-7-17(3,8-15(24)26-5-2)18(10-20,11-21)16(22)13(12)9-19/h7,13,22H,4-6,8H2,1-3H3/t13?,17-/m1/s1