(6E)-2-tert-butyl-6-[(4S)-4-tert-butyl-1,3-oxazolidin-2-ylidene]-4-nitro-cyclohexa-2,4-dien-1-one; copper

Systemtic Name: (6E)-2-tert-butyl-6-[(4S)-4-tert-butyl-1,3-oxazolidin-2-ylidene]-4-nitro-cyclohexa-2,4-dien-1-one; copper Openeye Name: (6E)-2-tert-butyl-6-[(4S)-4-tert-butyloxazolidin-2-ylidene]-4-nitro-cyclohexa-2,4-dien-1-one; copper CAS Name: (6E)-2-tert-butyl-6-[(4S)-4-tert-butyl-2-oxazolidinylidene]-4-nitro-1-cyclohexa-2,4-dienone; copper IUPAC Name: (6E)-2-tert-butyl-6-[(4S)-4-tert-butyl-1,3-oxazolidin-2-ylidene]-4-nitrocyclohexa-2,4-dien-1-one; copper Traditional Name: (6E)-2-tert-butyl-6-[(4S)-4-tert-butyloxazolidin-2-ylidene]-4-nitro-cyclohexa-2,4-dien-1-one; copper Formula: C34H48CuN4O8 MolecularWeight: 704.31292

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1COC(=C2C=C(C=C(C2=O)C(C)(C)C)[N+](=O)[O-])N1.CC(C)(C)C1COC(=C2C=C(C=C(C2=O)C(C)(C)C)[N+](=O)[O-])N1.[Cu]

Isomeric SMILES

CC([C@@H]1N/C(=C/2\C(=O)C(=CC(=C2)[N+](=O)[O-])C(C)(C)C)/OC1)(C)C.CC([C@@H]1N/C(=C/2\C(=O)C(=CC(=C2)[N+](=O)[O-])C(C)(C)C)/OC1)(C)C.[Cu]

InChI

InChI=1S/2C17H24N2O4.Cu/c2*1-16(2,3)12-8-10(19(21)22)7-11(14(12)20)15-18-13(9-23-15)17(4,5)6;/h2*7-8,13,18H,9H2,1-6H3;/b2*15-11+;/t2*13-;/m11./s1