(6E)-4-ethyl-6-[5-methyl-4-(4-methyl-1,3-thiazol-2-yl)-1,2-dihydropyrazol-3-ylidene]-3-[(4-nitrophenyl)methoxy]cyclohexa-2,4-dien-1-one

Systemtic Name: (6E)-4-ethyl-6-[5-methyl-4-(4-methyl-1,3-thiazol-2-yl)-1,2-dihydropyrazol-3-ylidene]-3-[(4-nitrophenyl)methoxy]cyclohexa-2,4-dien-1-one Openeye Name: (6E)-4-ethyl-6-[5-methyl-4-(4-methylthiazol-2-yl)-1,2-dihydropyrazol-3-ylidene]-3-[(4-nitrophenyl)methoxy]cyclohexa-2,4-dien-1-one CAS Name: (6E)-4-ethyl-6-[5-methyl-4-(4-methyl-2-thiazolyl)-1,2-dihydropyrazol-3-ylidene]-3-[(4-nitrophenyl)methoxy]-1-cyclohexa-2,4-dienone IUPAC Name: (6E)-4-ethyl-6-[5-methyl-4-(4-methyl-1,3-thiazol-2-yl)-1,2-dihydropyrazol-3-ylidene]-3-[(4-nitrophenyl)methoxy]cyclohexa-2,4-dien-1-one Traditional Name: (6E)-4-ethyl-6-[5-methyl-4-(4-methylthiazol-2-yl)-3-pyrazolin-3-ylidene]-3-(4-nitrobenzyl)oxy-cyclohexa-2,4-dien-1-one Formula: C23H22N4O4S MolecularWeight: 450.51018

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C2C(=C(NN2)C)C3=NC(=CS3)C)C(=O)C=C1OCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCC1=C/C(=C\2/C(=C(NN2)C)C3=NC(=CS3)C)/C(=O)C=C1OCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H22N4O4S/c1-4-16-9-18(22-21(14(3)25-26-22)23-24-13(2)12-32-23)19(28)10-20(16)31-11-15-5-7-17(8-6-15)27(29)30/h5-10,12,25-26H,4,11H2,1-3H3/b22-18+