[2-oxidanylidene-2-[(phenylmethyl)carbamoylamino]ethyl] 1,4-bis(oxidanyl)naphthalene-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(phenylmethyl)carbamoylamino]ethyl] 1,4-bis(oxidanyl)naphthalene-2-carboxylate Openeye Name: [2-(benzylcarbamoylamino)-2-oxo-ethyl] 1,4-dihydroxynaphthalene-2-carboxylate CAS Name: 1,4-dihydroxy-2-naphthalenecarboxylic acid [2-oxo-2-[[oxo-[(phenylmethyl)amino]methyl]amino]ethyl] ester IUPAC Name: [2-(benzylcarbamoylamino)-2-oxoethyl] 1,4-dihydroxynaphthalene-2-carboxylate Traditional Name: 1,4-dihydroxynaphthalene-2-carboxylic acid [2-(benzylcarbamoylamino)-2-keto-ethyl] ester Formula: C21H18N2O6 MolecularWeight: 394.37742

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)NC(=O)COC(=O)C2=C(C3=CC=CC=C3C(=C2)O)O

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)NC(=O)COC(=O)C2=C(C3=CC=CC=C3C(=C2)O)O

InChI

InChI=1S/C21H18N2O6/c24-17-10-16(19(26)15-9-5-4-8-14(15)17)20(27)29-12-18(25)23-21(28)22-11-13-6-2-1-3-7-13/h1-10,24,26H,11-12H2,(H2,22,23,25,28)