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

Systemtic Name: methyl 3-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[[5-methyl-2-(p-tolyl)pyrazol-3-yl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[[5-methyl-2-(4-methylphenyl)-3-pyrazolyl]amino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[5-methyl-2-(p-tolyl)pyrazol-3-yl]carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C20H18N4O5 MolecularWeight: 394.38072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=CC(=N2)C)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=CC(=N2)C)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C20H18N4O5/c1-12-4-6-16(7-5-12)23-18(8-13(2)22-23)21-19(25)14-9-15(20(26)29-3)11-17(10-14)24(27)28/h4-11H,1-3H3,(H,21,25)