methyl 3-methyl-2,4-bis(4-nitrophenyl)butanoate

Systemtic Name: methyl 3-methyl-2,4-bis(4-nitrophenyl)butanoate Openeye Name: methyl 3-methyl-2,4-bis(4-nitrophenyl)butanoate CAS Name: 3-methyl-2,4-bis(4-nitrophenyl)butanoic acid methyl ester IUPAC Name: methyl 3-methyl-2,4-bis(4-nitrophenyl)butanoate Traditional Name: 3-methyl-2,4-bis(4-nitrophenyl)butyric acid methyl ester Formula: C18H18N2O6 MolecularWeight: 358.34532

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=C(C=C1)[N+](=O)[O-])C(C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC(CC1=CC=C(C=C1)[N+](=O)[O-])C(C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C18H18N2O6/c1-12(11-13-3-7-15(8-4-13)19(22)23)17(18(21)26-2)14-5-9-16(10-6-14)20(24)25/h3-10,12,17H,11H2,1-2H3