4-nitro-2-[[2-[(3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]cyclohexyl]iminomethyl]phenolate

Systemtic Name: 4-nitro-2-[[2-[(3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]cyclohexyl]iminomethyl]phenolate Openeye Name: 4-nitro-2-[[2-[(3-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]cyclohexyl]iminomethyl]phenolate CAS Name: 4-nitro-2-[[2-[(3-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]cyclohexyl]iminomethyl]phenolate IUPAC Name: 4-nitro-2-[[2-[(3-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]cyclohexyl]iminomethyl]phenolate Traditional Name: 2-[[2-[(6-keto-3-nitro-cyclohexa-2,4-dien-1-ylidene)methylamino]cyclohexyl]iminomethyl]-4-nitro-phenolate Formula: C20H19N4O6- MolecularWeight: 411.38806

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)NC=C2C=C(C=CC2=O)[N+](=O)[O-])N=CC3=C(C=CC(=C3)[N+](=O)[O-])[O-]

Isomeric SMILES

C1CCC(C(C1)NC=C2C=C(C=CC2=O)[N+](=O)[O-])N=CC3=C(C=CC(=C3)[N+](=O)[O-])[O-]

InChI

InChI=1S/C20H20N4O6/c25-19-7-5-15(23(27)28)9-13(19)11-21-17-3-1-2-4-18(17)22-12-14-10-16(24(29)30)6-8-20(14)26/h5-12,17-18,21,26H,1-4H2/p-1