[(E)-[3-(cyanomethyl)-6-methoxy-cyclohexa-2,4-dien-1-ylidene]amino] (7,7-dimethyl-3-oxidanylidene-4-bicyclo[2.2.1]heptanyl)methanesulfonate

Systemtic Name: [(E)-[3-(cyanomethyl)-6-methoxy-cyclohexa-2,4-dien-1-ylidene]amino] (7,7-dimethyl-3-oxidanylidene-4-bicyclo[2.2.1]heptanyl)methanesulfonate Openeye Name: [(E)-[3-(cyanomethyl)-6-methoxy-cyclohexa-2,4-dien-1-ylidene]amino] (7,7-dimethyl-2-oxo-norbornan-1-yl)methanesulfonate CAS Name: (7,7-dimethyl-3-oxo-4-bicyclo[2.2.1]heptanyl)methanesulfonic acid [(E)-[3-(cyanomethyl)-6-methoxy-1-cyclohexa-2,4-dienylidene]amino] ester IUPAC Name: [(E)-[3-(cyanomethyl)-6-methoxycyclohexa-2,4-dien-1-ylidene]amino] (7,7-dimethyl-3-oxo-4-bicyclo[2.2.1]heptanyl)methanesulfonate Traditional Name: (2-keto-7,7-dimethyl-norbornan-1-yl)methanesulfonic acid [(E)-[3-(cyanomethyl)-6-methoxy-cyclohexa-2,4-dien-1-ylidene]amino] ester Formula: C19H24N2O5S MolecularWeight: 392.46926

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2CCC1(C(=O)C2)CS(=O)(=O)ON=C3C=C(C=CC3OC)CC#N)C

Isomeric SMILES

CC1(C2CCC1(C(=O)C2)CS(=O)(=O)O/N=C/3\C=C(C=CC3OC)CC#N)C

InChI

InChI=1S/C19H24N2O5S/c1-18(2)14-6-8-19(18,17(22)11-14)12-27(23,24)26-21-15-10-13(7-9-20)4-5-16(15)25-3/h4-5,10,14,16H,6-8,11-12H2,1-3H3/b21-15+