3-(4-butoxyphenyl)-4-[(5-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]-2H-1,2-oxazol-5-one

Systemtic Name: 3-(4-butoxyphenyl)-4-[(5-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]-2H-1,2-oxazol-5-one Openeye Name: 3-(4-butoxyphenyl)-4-[(5-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methyl]-2H-isoxazol-5-one CAS Name: 3-(4-butoxyphenyl)-4-[(5-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methyl]-2H-isoxazol-5-one IUPAC Name: 3-(4-butoxyphenyl)-4-[(5-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]-2H-1,2-oxazol-5-one Traditional Name: 3-(4-butoxyphenyl)-4-[(6-keto-5-nitro-cyclohexa-2,4-dien-1-ylidene)methyl]-3-isoxazolin-5-one Formula: C20H18N2O6 MolecularWeight: 382.36672

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=C(C(=O)ON2)C=C3C=CC=C(C3=O)[N+](=O)[O-]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=C(C(=O)ON2)C=C3C=CC=C(C3=O)[N+](=O)[O-]

InChI

InChI=1S/C20H18N2O6/c1-2-3-11-27-15-9-7-13(8-10-15)18-16(20(24)28-21-18)12-14-5-4-6-17(19(14)23)22(25)26/h4-10,12,21H,2-3,11H2,1H3