tert-butyl N-[(E)-[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]methylideneamino]carbamate

Systemtic Name: tert-butyl N-[(E)-[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]methylideneamino]carbamate Openeye Name: tert-butyl N-[(E)-[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]methyleneamino]carbamate CAS Name: N-[(E)-[3-(4-nitrophenyl)-1-phenyl-4-pyrazolyl]methylideneamino]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(E)-[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]methylideneamino]carbamate Traditional Name: N-[(E)-[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]methyleneamino]carbamic acid tert-butyl ester Formula: C21H21N5O4 MolecularWeight: 407.42254

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NN=CC1=CN(N=C1C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N/N=C/C1=CN(N=C1C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C21H21N5O4/c1-21(2,3)30-20(27)23-22-13-16-14-25(17-7-5-4-6-8-17)24-19(16)15-9-11-18(12-10-15)26(28)29/h4-14H,1-3H3,(H,23,27)/b22-13+