ethyl 3-[[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]carbamoyl]-5-nitro-benzoate

Systemtic Name: ethyl 3-[[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]carbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[[2-[(4-ethylphenyl)methyl]-3-pyrazolyl]amino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[2-(4-ethylbenzyl)pyrazol-3-yl]carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C22H22N4O5 MolecularWeight: 422.43388

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CN2C(=CC=N2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCC1=CC=C(C=C1)CN2C(=CC=N2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OCC

InChI

InChI=1S/C22H22N4O5/c1-3-15-5-7-16(8-6-15)14-25-20(9-10-23-25)24-21(27)17-11-18(22(28)31-4-2)13-19(12-17)26(29)30/h5-13H,3-4,14H2,1-2H3,(H,24,27)