[(2S)-1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl] 1,4-bis(oxidanyl)naphthalene-2-carboxylate

Systemtic Name: [(2S)-1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl] 1,4-bis(oxidanyl)naphthalene-2-carboxylate Openeye Name: [(1S)-2-(1,3-benzodioxol-5-ylamino)-1-methyl-2-oxo-ethyl] 1,4-dihydroxynaphthalene-2-carboxylate CAS Name: 1,4-dihydroxy-2-naphthalenecarboxylic acid [(2S)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] 1,4-dihydroxynaphthalene-2-carboxylate Traditional Name: 1,4-dihydroxynaphthalene-2-carboxylic acid [(1S)-2-(1,3-benzodioxol-5-ylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H17NO7 MolecularWeight: 395.36218

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCO2)OC(=O)C3=C(C4=CC=CC=C4C(=C3)O)O

Isomeric SMILES

C[C@@H](C(=O)NC1=CC2=C(C=C1)OCO2)OC(=O)C3=C(C4=CC=CC=C4C(=C3)O)O

InChI

InChI=1S/C21H17NO7/c1-11(20(25)22-12-6-7-17-18(8-12)28-10-27-17)29-21(26)15-9-16(23)13-4-2-3-5-14(13)19(15)24/h2-9,11,23-24H,10H2,1H3,(H,22,25)/t11-/m0/s1