[2-bromanyl-4-[(Z)-2-cyano-3-ethoxy-3-oxidanylidene-prop-1-enyl]-6-methoxy-phenyl] adamantane-1-carboxylate

Systemtic Name: [2-bromanyl-4-[(Z)-2-cyano-3-ethoxy-3-oxidanylidene-prop-1-enyl]-6-methoxy-phenyl] adamantane-1-carboxylate Openeye Name: [2-bromo-4-[(Z)-2-cyano-3-ethoxy-3-oxo-prop-1-enyl]-6-methoxy-phenyl] adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid [2-bromo-4-[(Z)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]-6-methoxyphenyl] ester IUPAC Name: [2-bromo-4-[(Z)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]-6-methoxyphenyl] adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid [2-bromo-4-[(Z)-2-cyano-3-ethoxy-3-keto-prop-1-enyl]-6-methoxy-phenyl] ester Formula: C24H26BrNO5 MolecularWeight: 488.37094

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=CC(=C(C(=C1)Br)OC(=O)C23CC4CC(C2)CC(C4)C3)OC)C#N

Isomeric SMILES

CCOC(=O)/C(=C\C1=CC(=C(C(=C1)Br)OC(=O)C23CC4CC(C2)CC(C4)C3)OC)/C#N

InChI

InChI=1S/C24H26BrNO5/c1-3-30-22(27)18(13-26)7-14-8-19(25)21(20(9-14)29-2)31-23(28)24-10-15-4-16(11-24)6-17(5-15)12-24/h7-9,15-17H,3-6,10-12H2,1-2H3/b18-7-