[2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 1,4-bis(oxidanyl)naphthalene-2-carboxylate

Systemtic Name: [2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 1,4-bis(oxidanyl)naphthalene-2-carboxylate Openeye Name: [2-(4-methyl-3-nitro-phenyl)-2-oxo-ethyl] 1,4-dihydroxynaphthalene-2-carboxylate CAS Name: 1,4-dihydroxy-2-naphthalenecarboxylic acid [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] 1,4-dihydroxynaphthalene-2-carboxylate Traditional Name: 1,4-dihydroxynaphthalene-2-carboxylic acid [2-keto-2-(4-methyl-3-nitro-phenyl)ethyl] ester Formula: C20H15NO7 MolecularWeight: 381.3356

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)COC(=O)C2=C(C3=CC=CC=C3C(=C2)O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)COC(=O)C2=C(C3=CC=CC=C3C(=C2)O)O)[N+](=O)[O-]

InChI

InChI=1S/C20H15NO7/c1-11-6-7-12(8-16(11)21(26)27)18(23)10-28-20(25)15-9-17(22)13-4-2-3-5-14(13)19(15)24/h2-9,22,24H,10H2,1H3