methyl 2-(2-nitrophenyl)-4,7-bis(oxidanylidene)octanoate

Systemtic Name: methyl 2-(2-nitrophenyl)-4,7-bis(oxidanylidene)octanoate Openeye Name: methyl 2-(2-nitrophenyl)-4,7-dioxo-octanoate CAS Name: 2-(2-nitrophenyl)-4,7-dioxooctanoic acid methyl ester IUPAC Name: methyl 2-(2-nitrophenyl)-4,7-dioxooctanoate Traditional Name: 4,7-diketo-2-(2-nitrophenyl)caprylic acid methyl ester Formula: C15H17NO6 MolecularWeight: 307.29858

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC(=O)CC(C1=CC=CC=C1[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC(=O)CCC(=O)CC(C1=CC=CC=C1[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C15H17NO6/c1-10(17)7-8-11(18)9-13(15(19)22-2)12-5-3-4-6-14(12)16(20)21/h3-6,13H,7-9H2,1-2H3