[(2S)-1-(4-ethylphenyl)-1-oxidanylidene-propan-2-yl] 1-nitro-9,10-bis(oxidanylidene)anthracene-2-carboxylate

Systemtic Name: [(2S)-1-(4-ethylphenyl)-1-oxidanylidene-propan-2-yl] 1-nitro-9,10-bis(oxidanylidene)anthracene-2-carboxylate Openeye Name: [(1S)-2-(4-ethylphenyl)-1-methyl-2-oxo-ethyl] 1-nitro-9,10-dioxo-anthracene-2-carboxylate CAS Name: 1-nitro-9,10-dioxo-2-anthracenecarboxylic acid [(2S)-1-(4-ethylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 1-nitro-9,10-dioxoanthracene-2-carboxylate Traditional Name: 9,10-diketo-1-nitro-anthracene-2-carboxylic acid [(1S)-2-(4-ethylphenyl)-2-keto-1-methyl-ethyl] ester Formula: C26H19NO7 MolecularWeight: 457.43156

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2=C(C3=C(C=C2)C(=O)C4=CC=CC=C4C3=O)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)[C@H](C)OC(=O)C2=C(C3=C(C=C2)C(=O)C4=CC=CC=C4C3=O)[N+](=O)[O-]

InChI

InChI=1S/C26H19NO7/c1-3-15-8-10-16(11-9-15)23(28)14(2)34-26(31)20-13-12-19-21(22(20)27(32)33)25(30)18-7-5-4-6-17(18)24(19)29/h4-14H,3H2,1-2H3/t14-/m0/s1