(4,7,7-trimethyl-2-oxidanyl-5-oxidanylidene-cyclohept-3-en-1-yl) 2,4-bis(azanyl)benzoate

Systemtic Name: (4,7,7-trimethyl-2-oxidanyl-5-oxidanylidene-cyclohept-3-en-1-yl) 2,4-bis(azanyl)benzoate Openeye Name: (2-hydroxy-4,7,7-trimethyl-5-oxo-cyclohept-3-en-1-yl) 2,4-diaminobenzoate CAS Name: 2,4-diaminobenzoic acid (2-hydroxy-4,7,7-trimethyl-5-oxo-1-cyclohept-3-enyl) ester IUPAC Name: (2-hydroxy-4,7,7-trimethyl-5-oxocyclohept-3-en-1-yl) 2,4-diaminobenzoate Traditional Name: 2,4-diaminobenzoic acid (2-hydroxy-5-keto-4,7,7-trimethyl-cyclohept-3-en-1-yl) ester Formula: C17H22N2O4 MolecularWeight: 318.36758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(C(C(CC1=O)(C)C)OC(=O)C2=C(C=C(C=C2)N)N)O

Isomeric SMILES

CC1=CC(C(C(CC1=O)(C)C)OC(=O)C2=C(C=C(C=C2)N)N)O

InChI

InChI=1S/C17H22N2O4/c1-9-6-13(20)15(17(2,3)8-14(9)21)23-16(22)11-5-4-10(18)7-12(11)19/h4-7,13,15,20H,8,18-19H2,1-3H3