ethyl 1-(4-nitrophenyl)-4-[(2-phenyl-1,2,3-triazol-4-yl)methoxy]pyrazole-3-carboxylate

Systemtic Name: ethyl 1-(4-nitrophenyl)-4-[(2-phenyl-1,2,3-triazol-4-yl)methoxy]pyrazole-3-carboxylate Openeye Name: ethyl 1-(4-nitrophenyl)-4-[(2-phenyltriazol-4-yl)methoxy]pyrazole-3-carboxylate CAS Name: 1-(4-nitrophenyl)-4-[(2-phenyl-4-triazolyl)methoxy]-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(4-nitrophenyl)-4-[(2-phenyltriazol-4-yl)methoxy]pyrazole-3-carboxylate Traditional Name: 1-(4-nitrophenyl)-4-[(2-phenyltriazol-4-yl)methoxy]pyrazole-3-carboxylic acid ethyl ester Formula: C21H18N6O5 MolecularWeight: 434.40482

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C=C1OCC2=NN(N=C2)C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=NN(C=C1OCC2=NN(N=C2)C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H18N6O5/c1-2-31-21(28)20-19(13-25(24-20)16-8-10-18(11-9-16)27(29)30)32-14-15-12-22-26(23-15)17-6-4-3-5-7-17/h3-13H,2,14H2,1H3