(6E)-6-(4-methyl-3-oxidanyl-5-phenyl-1,3-oxazol-2-ylidene)-4-nitro-cyclohexa-2,4-dien-1-one

Systemtic Name: (6E)-6-(4-methyl-3-oxidanyl-5-phenyl-1,3-oxazol-2-ylidene)-4-nitro-cyclohexa-2,4-dien-1-one Openeye Name: (6E)-6-(3-hydroxy-4-methyl-5-phenyl-oxazol-2-ylidene)-4-nitro-cyclohexa-2,4-dien-1-one CAS Name: (6E)-6-(3-hydroxy-4-methyl-5-phenyl-2-oxazolylidene)-4-nitro-1-cyclohexa-2,4-dienone IUPAC Name: (6E)-6-(3-hydroxy-4-methyl-5-phenyl-1,3-oxazol-2-ylidene)-4-nitrocyclohexa-2,4-dien-1-one Traditional Name: (6E)-6-(3-hydroxy-4-methyl-5-phenyl-4-oxazolin-2-ylidene)-4-nitro-cyclohexa-2,4-dien-1-one Formula: C16H12N2O5 MolecularWeight: 312.27688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC(=C2C=C(C=CC2=O)[N+](=O)[O-])N1O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(O/C(=C/2\C=C(C=CC2=O)[N+](=O)[O-])/N1O)C3=CC=CC=C3

InChI

InChI=1S/C16H12N2O5/c1-10-15(11-5-3-2-4-6-11)23-16(17(10)20)13-9-12(18(21)22)7-8-14(13)19/h2-9,20H,1H3/b16-13+