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

Systemtic Name: methyl 3-[[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]carbamoyl]-5-nitro-benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C21H20N4O5 MolecularWeight: 408.4073

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H20N4O5/c1-3-14-4-6-15(7-5-14)13-24-19(8-9-22-24)23-20(26)16-10-17(21(27)30-2)12-18(11-16)25(28)29/h4-12H,3,13H2,1-2H3,(H,23,26)