ethyl 3-nitro-5-[(1-phenylpyrazol-4-yl)methylcarbamoyl]benzoate

Systemtic Name: ethyl 3-nitro-5-[(1-phenylpyrazol-4-yl)methylcarbamoyl]benzoate Openeye Name: ethyl 3-nitro-5-[(1-phenylpyrazol-4-yl)methylcarbamoyl]benzoate CAS Name: 3-nitro-5-[oxo-[(1-phenyl-4-pyrazolyl)methylamino]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-nitro-5-[(1-phenylpyrazol-4-yl)methylcarbamoyl]benzoate Traditional Name: 3-nitro-5-[(1-phenylpyrazol-4-yl)methylcarbamoyl]benzoic acid ethyl ester Formula: C20H18N4O5 MolecularWeight: 394.38072

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)NCC2=CN(N=C2)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)NCC2=CN(N=C2)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H18N4O5/c1-2-29-20(26)16-8-15(9-18(10-16)24(27)28)19(25)21-11-14-12-22-23(13-14)17-6-4-3-5-7-17/h3-10,12-13H,2,11H2,1H3,(H,21,25)