2-ethyl-1,4-bis(4-nitrophenyl)-3-propyl-butane-1,4-dione

Systemtic Name: 2-ethyl-1,4-bis(4-nitrophenyl)-3-propyl-butane-1,4-dione Openeye Name: 2-ethyl-1,4-bis(4-nitrophenyl)-3-propyl-butane-1,4-dione CAS Name: 2-ethyl-1,4-bis(4-nitrophenyl)-3-propylbutane-1,4-dione IUPAC Name: 2-ethyl-1,4-bis(4-nitrophenyl)-3-propylbutane-1,4-dione Traditional Name: 2-ethyl-1,4-bis(4-nitrophenyl)-3-propyl-butane-1,4-dione Formula: C21H22N2O6 MolecularWeight: 398.40918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O6/c1-3-5-19(21(25)15-8-12-17(13-9-15)23(28)29)18(4-2)20(24)14-6-10-16(11-7-14)22(26)27/h6-13,18-19H,3-5H2,1-2H3