4,5-bis(oxidanyl)-3-[(phenylmethyl)amino]cyclohexene-1-carboxylate

Systemtic Name: 4,5-bis(oxidanyl)-3-[(phenylmethyl)amino]cyclohexene-1-carboxylate Openeye Name: 3-(benzylamino)-4,5-dihydroxy-cyclohexene-1-carboxylate CAS Name: 4,5-dihydroxy-3-[(phenylmethyl)amino]-1-cyclohexenecarboxylate IUPAC Name: 3-(benzylamino)-4,5-dihydroxycyclohexene-1-carboxylate Traditional Name: 3-(benzylamino)-4,5-dihydroxy-cyclohexene-1-carboxylate Formula: C14H16NO4- MolecularWeight: 262.28114

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(C=C1C(=O)[O-])NCC2=CC=CC=C2)O)O

Isomeric SMILES

C1C(C(C(C=C1C(=O)[O-])NCC2=CC=CC=C2)O)O

InChI

InChI=1S/C14H17NO4/c16-12-7-10(14(18)19)6-11(13(12)17)15-8-9-4-2-1-3-5-9/h1-6,11-13,15-17H,7-8H2,(H,18,19)/p-1