(4-aminocarbonyl-2-nitro-phenyl)methyl 3-phenyl-1H-pyrazole-5-carboxylate

Systemtic Name: (4-aminocarbonyl-2-nitro-phenyl)methyl 3-phenyl-1H-pyrazole-5-carboxylate Openeye Name: (4-carbamoyl-2-nitro-phenyl)methyl 3-phenyl-1H-pyrazole-5-carboxylate CAS Name: 3-phenyl-1H-pyrazole-5-carboxylic acid (4-carbamoyl-2-nitrophenyl)methyl ester IUPAC Name: (4-carbamoyl-2-nitrophenyl)methyl 3-phenyl-1H-pyrazole-5-carboxylate Traditional Name: 3-phenyl-1H-pyrazole-5-carboxylic acid (4-carbamoyl-2-nitro-benzyl) ester Formula: C18H14N4O5 MolecularWeight: 366.32756

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NNC(=C2)C(=O)OCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=NNC(=C2)C(=O)OCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C18H14N4O5/c19-17(23)12-6-7-13(16(8-12)22(25)26)10-27-18(24)15-9-14(20-21-15)11-4-2-1-3-5-11/h1-9H,10H2,(H2,19,23)(H,20,21)