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

Systemtic Name: 4-[(3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]-3-(4-pentoxyphenyl)-2H-1,2-oxazol-5-one Openeye Name: 4-[(3-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methyl]-3-(4-pentoxyphenyl)-2H-isoxazol-5-one CAS Name: 4-[(3-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methyl]-3-(4-pentoxyphenyl)-2H-isoxazol-5-one IUPAC Name: 4-[(3-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]-3-(4-pentoxyphenyl)-2H-1,2-oxazol-5-one Traditional Name: 3-(4-amoxyphenyl)-4-[(6-keto-3-nitro-cyclohexa-2,4-dien-1-ylidene)methyl]-3-isoxazolin-5-one Formula: C21H20N2O6 MolecularWeight: 396.3933

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C2=C(C(=O)ON2)C=C3C=C(C=CC3=O)[N+](=O)[O-]

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C2=C(C(=O)ON2)C=C3C=C(C=CC3=O)[N+](=O)[O-]

InChI

InChI=1S/C21H20N2O6/c1-2-3-4-11-28-17-8-5-14(6-9-17)20-18(21(25)29-22-20)13-15-12-16(23(26)27)7-10-19(15)24/h5-10,12-13,22H,2-4,11H2,1H3