[2-[(3-acetamidophenyl)amino]-2-oxidanylidene-ethyl] 1,4-bis(oxidanyl)naphthalene-2-carboxylate

Systemtic Name: [2-[(3-acetamidophenyl)amino]-2-oxidanylidene-ethyl] 1,4-bis(oxidanyl)naphthalene-2-carboxylate Openeye Name: [2-(3-acetamidoanilino)-2-oxo-ethyl] 1,4-dihydroxynaphthalene-2-carboxylate CAS Name: 1,4-dihydroxy-2-naphthalenecarboxylic acid [2-(3-acetamidoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-acetamidoanilino)-2-oxoethyl] 1,4-dihydroxynaphthalene-2-carboxylate Traditional Name: 1,4-dihydroxynaphthalene-2-carboxylic acid [2-(3-acetamidoanilino)-2-keto-ethyl] ester Formula: C21H18N2O6 MolecularWeight: 394.37742

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=CC=C1)NC(=O)COC(=O)C2=C(C3=CC=CC=C3C(=C2)O)O

Isomeric SMILES

CC(=O)NC1=CC(=CC=C1)NC(=O)COC(=O)C2=C(C3=CC=CC=C3C(=C2)O)O

InChI

InChI=1S/C21H18N2O6/c1-12(24)22-13-5-4-6-14(9-13)23-19(26)11-29-21(28)17-10-18(25)15-7-2-3-8-16(15)20(17)27/h2-10,25,27H,11H2,1H3,(H,22,24)(H,23,26)