5-azanyl-6-chloranyl-2,2-dimethyl-3,4-dihydrochromene-8-carboxylate

Systemtic Name: 5-azanyl-6-chloranyl-2,2-dimethyl-3,4-dihydrochromene-8-carboxylate Openeye Name: 5-amino-6-chloro-2,2-dimethyl-chromane-8-carboxylate CAS Name: 5-amino-6-chloro-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-8-carboxylate IUPAC Name: 5-amino-6-chloro-2,2-dimethyl-3,4-dihydrochromene-8-carboxylate Traditional Name: 5-amino-6-chloro-2,2-dimethyl-chroman-8-carboxylate Formula: C12H13ClNO3- MolecularWeight: 254.68952

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC2=C(O1)C(=CC(=C2N)Cl)C(=O)[O-])C

Isomeric SMILES

CC1(CCC2=C(O1)C(=CC(=C2N)Cl)C(=O)[O-])C

InChI

InChI=1S/C12H14ClNO3/c1-12(2)4-3-6-9(14)8(13)5-7(11(15)16)10(6)17-12/h5H,3-4,14H2,1-2H3,(H,15,16)/p-1