methyl 4-[[3-(1-adamantyl)-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene]methylamino]-2-chloranyl-benzoate

Systemtic Name: methyl 4-[[3-(1-adamantyl)-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene]methylamino]-2-chloranyl-benzoate Openeye Name: methyl 4-[[3-(1-adamantyl)-6-oxo-cyclohexa-2,4-dien-1-ylidene]methylamino]-2-chloro-benzoate CAS Name: 4-[[3-(1-adamantyl)-6-oxo-1-cyclohexa-2,4-dienylidene]methylamino]-2-chlorobenzoic acid methyl ester IUPAC Name: methyl 4-[[3-(1-adamantyl)-6-oxocyclohexa-2,4-dien-1-ylidene]methylamino]-2-chlorobenzoate Traditional Name: 4-[[3-(1-adamantyl)-6-keto-cyclohexa-2,4-dien-1-ylidene]methylamino]-2-chloro-benzoic acid methyl ester Formula: C25H26ClNO3 MolecularWeight: 423.93184

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(C=C1)NC=C2C=C(C=CC2=O)C34CC5CC(C3)CC(C5)C4)Cl

Isomeric SMILES

COC(=O)C1=C(C=C(C=C1)NC=C2C=C(C=CC2=O)C34CC5CC(C3)CC(C5)C4)Cl

InChI

InChI=1S/C25H26ClNO3/c1-30-24(29)21-4-3-20(10-22(21)26)27-14-18-9-19(2-5-23(18)28)25-11-15-6-16(12-25)8-17(7-15)13-25/h2-5,9-10,14-17,27H,6-8,11-13H2,1H3