[(Z)-(4-bromanyl-7-methoxy-2,3-dihydroinden-1-ylidene)amino] adamantane-1-carboxylate

Systemtic Name: [(Z)-(4-bromanyl-7-methoxy-2,3-dihydroinden-1-ylidene)amino] adamantane-1-carboxylate Openeye Name: [(Z)-(4-bromo-7-methoxy-indan-1-ylidene)amino] adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid [(Z)-(4-bromo-7-methoxy-2,3-dihydroinden-1-ylidene)amino] ester IUPAC Name: [(Z)-(4-bromo-7-methoxy-2,3-dihydroinden-1-ylidene)amino] adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid [(Z)-(4-bromo-7-methoxy-indan-1-ylidene)amino] ester Formula: C21H24BrNO3 MolecularWeight: 418.32416

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C=C1)Br)CCC2=NOC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC1=C\2C(=C(C=C1)Br)CC/C2=N/OC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C21H24BrNO3/c1-25-18-5-3-16(22)15-2-4-17(19(15)18)23-26-20(24)21-9-12-6-13(10-21)8-14(7-12)11-21/h3,5,12-14H,2,4,6-11H2,1H3/b23-17-