3-ethylpentyl 1-nitro-9,10-bis(oxidanylidene)anthracene-2-carboxylate

Systemtic Name: 3-ethylpentyl 1-nitro-9,10-bis(oxidanylidene)anthracene-2-carboxylate Openeye Name: 3-ethylpentyl 1-nitro-9,10-dioxo-anthracene-2-carboxylate CAS Name: 1-nitro-9,10-dioxo-2-anthracenecarboxylic acid 3-ethylpentyl ester IUPAC Name: 3-ethylpentyl 1-nitro-9,10-dioxoanthracene-2-carboxylate Traditional Name: 9,10-diketo-1-nitro-anthracene-2-carboxylic acid 3-ethylpentyl ester Formula: C22H21NO6 MolecularWeight: 395.40524

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)CCOC(=O)C1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)[N+](=O)[O-]

Isomeric SMILES

CCC(CC)CCOC(=O)C1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)[N+](=O)[O-]

InChI

InChI=1S/C22H21NO6/c1-3-13(4-2)11-12-29-22(26)17-10-9-16-18(19(17)23(27)28)21(25)15-8-6-5-7-14(15)20(16)24/h5-10,13H,3-4,11-12H2,1-2H3