(1,3-diphenylpyrazol-4-yl)methyl 4-azanyl-3-nitro-benzoate

Systemtic Name: (1,3-diphenylpyrazol-4-yl)methyl 4-azanyl-3-nitro-benzoate Openeye Name: (1,3-diphenylpyrazol-4-yl)methyl 4-amino-3-nitro-benzoate CAS Name: 4-amino-3-nitrobenzoic acid (1,3-diphenyl-4-pyrazolyl)methyl ester IUPAC Name: (1,3-diphenylpyrazol-4-yl)methyl 4-amino-3-nitrobenzoate Traditional Name: 4-amino-3-nitro-benzoic acid (1,3-diphenylpyrazol-4-yl)methyl ester Formula: C23H18N4O4 MolecularWeight: 414.41342

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H18N4O4/c24-20-12-11-17(13-21(20)27(29)30)23(28)31-15-18-14-26(19-9-5-2-6-10-19)25-22(18)16-7-3-1-4-8-16/h1-14H,15,24H2