4-nitro-2-[(Z)-[5-oxidanylidene-3-(4-pentoxyphenyl)-1,2-oxazol-4-ylidene]methyl]phenolate

Systemtic Name: 4-nitro-2-[(Z)-[5-oxidanylidene-3-(4-pentoxyphenyl)-1,2-oxazol-4-ylidene]methyl]phenolate Openeye Name: 4-nitro-2-[(Z)-[5-oxo-3-(4-pentoxyphenyl)isoxazol-4-ylidene]methyl]phenolate CAS Name: 4-nitro-2-[(Z)-[5-oxo-3-(4-pentoxyphenyl)-4-isoxazolylidene]methyl]phenolate IUPAC Name: 4-nitro-2-[(Z)-[5-oxo-3-(4-pentoxyphenyl)-1,2-oxazol-4-ylidene]methyl]phenolate Traditional Name: 2-[(Z)-[3-(4-amoxyphenyl)-5-keto-2-isoxazolin-4-ylidene]methyl]-4-nitro-phenolate Formula: C21H19N2O6- MolecularWeight: 395.38536

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C2=NOC(=O)C2=CC3=C(C=CC(=C3)[N+](=O)[O-])[O-]

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C\2=NOC(=O)/C2=C\C3=C(C=CC(=C3)[N+](=O)[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/h5-10,12-13,24H,2-4,11H2,1H3/p-1/b18-13-