ethyl 3-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)carbamoyl]-5-nitro-benzoate

Systemtic Name: ethyl 3-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)carbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)carbamoyl]-5-nitro-benzoate CAS Name: 3-[[(3,5-dimethyl-1-phenyl-4-pyrazolyl)amino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)carbamoyl]-5-nitrobenzoate Traditional Name: 3-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)carbamoyl]-5-nitro-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)NC2=C(N(N=C2C)C3=CC=CC=C3)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC2=C(N(N=C2C)C3=CC=CC=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C21H20N4O5/c1-4-30-21(27)16-10-15(11-18(12-16)25(28)29)20(26)22-19-13(2)23-24(14(19)3)17-8-6-5-7-9-17/h5-12H,4H2,1-3H3,(H,22,26)