ethyl 3-nitro-5-[2-(1-phenylpyrazol-4-yl)ethylcarbamoyl]benzoate

Systemtic Name: ethyl 3-nitro-5-[2-(1-phenylpyrazol-4-yl)ethylcarbamoyl]benzoate Openeye Name: ethyl 3-nitro-5-[2-(1-phenylpyrazol-4-yl)ethylcarbamoyl]benzoate CAS Name: 3-nitro-5-[oxo-[2-(1-phenyl-4-pyrazolyl)ethylamino]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-nitro-5-[2-(1-phenylpyrazol-4-yl)ethylcarbamoyl]benzoate Traditional Name: 3-nitro-5-[2-(1-phenylpyrazol-4-yl)ethylcarbamoyl]benzoic acid ethyl ester Formula: C21H20N4O5 MolecularWeight: 408.4073

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)NCCC2=CN(N=C2)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)NCCC2=CN(N=C2)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H20N4O5/c1-2-30-21(27)17-10-16(11-19(12-17)25(28)29)20(26)22-9-8-15-13-23-24(14-15)18-6-4-3-5-7-18/h3-7,10-14H,2,8-9H2,1H3,(H,22,26)