[4-(2,5-dimethylhexan-2-yl)-2,6-dinitro-phenyl] (Z)-but-2-enoate

Systemtic Name: [4-(2,5-dimethylhexan-2-yl)-2,6-dinitro-phenyl] (Z)-but-2-enoate Openeye Name: [2,6-dinitro-4-(1,1,4-trimethylpentyl)phenyl] (Z)-but-2-enoate CAS Name: (Z)-2-butenoic acid [4-(2,5-dimethylhexan-2-yl)-2,6-dinitrophenyl] ester IUPAC Name: [4-(2,5-dimethylhexan-2-yl)-2,6-dinitrophenyl] (Z)-but-2-enoate Traditional Name: (Z)-but-2-enoic acid [2,6-dinitro-4-(1,1,4-trimethylpentyl)phenyl] ester Formula: C18H24N2O6 MolecularWeight: 364.39296

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC(=O)OC1=C(C=C(C=C1[N+](=O)[O-])C(C)(C)CCC(C)C)[N+](=O)[O-]

Isomeric SMILES

C/C=C\C(=O)OC1=C(C=C(C=C1[N+](=O)[O-])C(C)(C)CCC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C18H24N2O6/c1-6-7-16(21)26-17-14(19(22)23)10-13(11-15(17)20(24)25)18(4,5)9-8-12(2)3/h6-7,10-12H,8-9H2,1-5H3/b7-6-