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

Systemtic Name: ethyl 3-[[2-[(3-methylphenyl)methyl]pyrazol-3-yl]carbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[[2-(m-tolylmethyl)pyrazol-3-yl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[[2-[(3-methylphenyl)methyl]-3-pyrazolyl]amino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-[(3-methylphenyl)methyl]pyrazol-3-yl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[2-(3-methylbenzyl)pyrazol-3-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=CC=NN2CC3=CC=CC(=C3)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC2=CC=NN2CC3=CC=CC(=C3)C)[N+](=O)[O-]

InChI

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