2-methoxy-6-nitro-4-[(E)-(2-oxidanylidene-3-pentyl-cyclopent-3-en-1-ylidene)methyl]phenolate

Systemtic Name: 2-methoxy-6-nitro-4-[(E)-(2-oxidanylidene-3-pentyl-cyclopent-3-en-1-ylidene)methyl]phenolate Openeye Name: 2-methoxy-6-nitro-4-[(E)-(2-oxo-3-pentyl-cyclopent-3-en-1-ylidene)methyl]phenolate CAS Name: 2-methoxy-6-nitro-4-[(E)-(2-oxo-3-pentyl-1-cyclopent-3-enylidene)methyl]phenolate IUPAC Name: 2-methoxy-6-nitro-4-[(E)-(2-oxo-3-pentylcyclopent-3-en-1-ylidene)methyl]phenolate Traditional Name: 4-[(E)-(3-amyl-2-keto-cyclopent-3-en-1-ylidene)methyl]-2-methoxy-6-nitro-phenolate Formula: C18H20NO5- MolecularWeight: 330.3551

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CCC(=CC2=CC(=C(C(=C2)OC)[O-])[N+](=O)[O-])C1=O

Isomeric SMILES

CCCCCC1=CC/C(=C\C2=CC(=C(C(=C2)OC)[O-])[N+](=O)[O-])/C1=O

InChI

InChI=1S/C18H21NO5/c1-3-4-5-6-13-7-8-14(17(13)20)9-12-10-15(19(22)23)18(21)16(11-12)24-2/h7,9-11,21H,3-6,8H2,1-2H3/p-1/b14-9+