manganese; (6E)-4-nitro-6-(1,3-oxazolidin-2-ylidene)cyclohexa-2,4-dien-1-one

Systemtic Name: manganese; (6E)-4-nitro-6-(1,3-oxazolidin-2-ylidene)cyclohexa-2,4-dien-1-one Openeye Name: manganese; (6E)-4-nitro-6-oxazolidin-2-ylidene-cyclohexa-2,4-dien-1-one CAS Name: manganese; (6E)-4-nitro-6-(2-oxazolidinylidene)-1-cyclohexa-2,4-dienone IUPAC Name: manganese; (6E)-4-nitro-6-(1,3-oxazolidin-2-ylidene)cyclohexa-2,4-dien-1-one Traditional Name: manganese; (6E)-4-nitro-6-oxazolidin-2-ylidene-cyclohexa-2,4-dien-1-one Formula: C27H24MnN6O12 MolecularWeight: 679.450509

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(=C2C=C(C=CC2=O)[N+](=O)[O-])N1.C1COC(=C2C=C(C=CC2=O)[N+](=O)[O-])N1.C1COC(=C2C=C(C=CC2=O)[N+](=O)[O-])N1.[Mn]

Isomeric SMILES

C1N/C(=C/2\C(=O)C=CC(=C2)[N+](=O)[O-])/OC1.C1N/C(=C/2\C(=O)C=CC(=C2)[N+](=O)[O-])/OC1.C1N/C(=C/2\C(=O)C=CC(=C2)[N+](=O)[O-])/OC1.[Mn]

InChI

InChI=1S/3C9H8N2O4.Mn/c3*12-8-2-1-6(11(13)14)5-7(8)9-10-3-4-15-9;/h3*1-2,5,10H,3-4H2;/b3*9-7+;