[2-heptanoyloxy-3-nitro-5-(3-oxidanylidene-4H-quinoxalin-2-yl)phenyl] heptanoate

Systemtic Name: [2-heptanoyloxy-3-nitro-5-(3-oxidanylidene-4H-quinoxalin-2-yl)phenyl] heptanoate Openeye Name: [2-heptanoyloxy-3-nitro-5-(3-oxo-4H-quinoxalin-2-yl)phenyl] heptanoate CAS Name: heptanoic acid [3-nitro-2-(1-oxoheptoxy)-5-(3-oxo-4H-quinoxalin-2-yl)phenyl] ester IUPAC Name: [2-heptanoyloxy-3-nitro-5-(3-oxo-4H-quinoxalin-2-yl)phenyl] heptanoate Traditional Name: enanthic acid [2-enanthyloxy-5-(3-keto-4H-quinoxalin-2-yl)-3-nitro-phenyl] ester Formula: C28H33N3O7 MolecularWeight: 523.57752

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)OC1=CC(=CC(=C1OC(=O)CCCCCC)[N+](=O)[O-])C2=NC3=CC=CC=C3NC2=O

Isomeric SMILES

CCCCCCC(=O)OC1=CC(=CC(=C1OC(=O)CCCCCC)[N+](=O)[O-])C2=NC3=CC=CC=C3NC2=O

InChI

InChI=1S/C28H33N3O7/c1-3-5-7-9-15-24(32)37-23-18-19(26-28(34)30-21-14-12-11-13-20(21)29-26)17-22(31(35)36)27(23)38-25(33)16-10-8-6-4-2/h11-14,17-18H,3-10,15-16H2,1-2H3,(H,30,34)