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

Systemtic Name: (2S)-2-(1-adamantyl)-2-[(3-chloranyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]ethanoate Openeye Name: (2S)-2-(1-adamantyl)-2-[(3-chloro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]acetate CAS Name: (2S)-2-(1-adamantyl)-2-[(3-chloro-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]acetate IUPAC Name: (2S)-2-(1-adamantyl)-2-[(3-chloro-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]acetate Traditional Name: (2S)-2-(1-adamantyl)-2-[(3-chloro-6-keto-cyclohexa-2,4-dien-1-ylidene)methylamino]acetate Formula: C19H21ClNO3- MolecularWeight: 346.82794

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(C(=O)[O-])NC=C4C=C(C=CC4=O)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)[C@@H](C(=O)[O-])NC=C4C=C(C=CC4=O)Cl

InChI

InChI=1S/C19H22ClNO3/c20-15-1-2-16(22)14(6-15)10-21-17(18(23)24)19-7-11-3-12(8-19)5-13(4-11)9-19/h1-2,6,10-13,17,21H,3-5,7-9H2,(H,23,24)/p-1/t11?,12?,13?,17-,19?/m1/s1