methyl 3-[(3E)-5-tert-butyl-3-[(2-nitrophenyl)hydrazinylidene]-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]propanoate

Systemtic Name: methyl 3-[(3E)-5-tert-butyl-3-[(2-nitrophenyl)hydrazinylidene]-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]propanoate Openeye Name: methyl 3-[(3E)-5-tert-butyl-3-[(2-nitrophenyl)hydrazono]-4-oxo-cyclohexa-1,5-dien-1-yl]propanoate CAS Name: 3-[(3E)-5-tert-butyl-3-[(2-nitrophenyl)hydrazinylidene]-4-oxo-1-cyclohexa-1,5-dienyl]propanoic acid methyl ester IUPAC Name: methyl 3-[(3E)-5-tert-butyl-3-[(2-nitrophenyl)hydrazinylidene]-4-oxocyclohexa-1,5-dien-1-yl]propanoate Traditional Name: 3-[(3E)-5-tert-butyl-4-keto-3-[(2-nitrophenyl)hydrazono]cyclohexa-1,5-dien-1-yl]propionic acid methyl ester Formula: C20H23N3O5 MolecularWeight: 385.41372

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=NNC2=CC=CC=C2[N+](=O)[O-])C1=O)CCC(=O)OC

Isomeric SMILES

CC(C)(C)C1=CC(=C/C(=N\NC2=CC=CC=C2[N+](=O)[O-])/C1=O)CCC(=O)OC

InChI

InChI=1S/C20H23N3O5/c1-20(2,3)14-11-13(9-10-18(24)28-4)12-16(19(14)25)22-21-15-7-5-6-8-17(15)23(26)27/h5-8,11-12,21H,9-10H2,1-4H3/b22-16+