methyl 2-(2-nitrophenyl)-4,8-bis(oxidanylidene)octanoate

Systemtic Name: methyl 2-(2-nitrophenyl)-4,8-bis(oxidanylidene)octanoate Openeye Name: methyl 2-(2-nitrophenyl)-4,8-dioxo-octanoate CAS Name: 2-(2-nitrophenyl)-4,8-dioxooctanoic acid methyl ester IUPAC Name: methyl 2-(2-nitrophenyl)-4,8-dioxooctanoate Traditional Name: 4,8-diketo-2-(2-nitrophenyl)caprylic acid methyl ester Formula: C15H17NO6 MolecularWeight: 307.29858

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC(=O)CCCC=O)C1=CC=CC=C1[N+](=O)[O-]

Isomeric SMILES

COC(=O)C(CC(=O)CCCC=O)C1=CC=CC=C1[N+](=O)[O-]

InChI

InChI=1S/C15H17NO6/c1-22-15(19)13(10-11(18)6-4-5-9-17)12-7-2-3-8-14(12)16(20)21/h2-3,7-9,13H,4-6,10H2,1H3