O4-(2,6-ditert-butyl-4-methoxy-phenyl) O1-[(E)-2-nitroethenyl] (E)-but-2-enedioate

Systemtic Name: O4-(2,6-ditert-butyl-4-methoxy-phenyl) O1-[(E)-2-nitroethenyl] (E)-but-2-enedioate Openeye Name: O4-(2,6-ditert-butyl-4-methoxy-phenyl) O1-[(E)-2-nitrovinyl] (E)-but-2-enedioate CAS Name: (E)-2-butenedioic acid O4-(2,6-ditert-butyl-4-methoxyphenyl) ester O1-[(E)-2-nitroethenyl] ester IUPAC Name: 4-O-(2,6-ditert-butyl-4-methoxyphenyl) 1-O-[(E)-2-nitroethenyl] (E)-but-2-enedioate Traditional Name: (E)-but-2-enedioic acid O4-(2,6-ditert-butyl-4-methoxy-phenyl) ester O1-[(E)-2-nitrovinyl] ester Formula: C21H27NO7 MolecularWeight: 405.44158

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1OC(=O)C=CC(=O)OC=C[N+](=O)[O-])C(C)(C)C)OC

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1OC(=O)/C=C/C(=O)O/C=C/[N+](=O)[O-])C(C)(C)C)OC

InChI

InChI=1S/C21H27NO7/c1-20(2,3)15-12-14(27-7)13-16(21(4,5)6)19(15)29-18(24)9-8-17(23)28-11-10-22(25)26/h8-13H,1-7H3/b9-8+,11-10+