(1,3-diphenylpyrazol-4-yl)methyl 2-nitrobenzoate

Systemtic Name: (1,3-diphenylpyrazol-4-yl)methyl 2-nitrobenzoate Openeye Name: (1,3-diphenylpyrazol-4-yl)methyl 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid (1,3-diphenyl-4-pyrazolyl)methyl ester IUPAC Name: (1,3-diphenylpyrazol-4-yl)methyl 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid (1,3-diphenylpyrazol-4-yl)methyl ester Formula: C23H17N3O4 MolecularWeight: 399.39878

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C=C2COC(=O)C3=CC=CC=C3[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C=C2COC(=O)C3=CC=CC=C3[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C23H17N3O4/c27-23(20-13-7-8-14-21(20)26(28)29)30-16-18-15-25(19-11-5-2-6-12-19)24-22(18)17-9-3-1-4-10-17/h1-15H,16H2