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

Systemtic Name: 2-nitro-4-[(E)-(2-oxidanylidene-3-pentyl-cyclopent-3-en-1-ylidene)methyl]phenolate Openeye Name: 2-nitro-4-[(E)-(2-oxo-3-pentyl-cyclopent-3-en-1-ylidene)methyl]phenolate CAS Name: 2-nitro-4-[(E)-(2-oxo-3-pentyl-1-cyclopent-3-enylidene)methyl]phenolate IUPAC Name: 2-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-nitro-phenolate Formula: C17H18NO4- MolecularWeight: 300.32912

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19NO4/c1-2-3-4-5-13-7-8-14(17(13)20)10-12-6-9-16(19)15(11-12)18(21)22/h6-7,9-11,19H,2-5,8H2,1H3/p-1/b14-10+