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

Systemtic Name: methyl 3-[[2-[(3-methylphenyl)methyl]pyrazol-3-yl]carbamoyl]-5-nitro-benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C20H18N4O5 MolecularWeight: 394.38072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C(=CC=N2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=CC(=CC=C1)CN2C(=CC=N2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C20H18N4O5/c1-13-4-3-5-14(8-13)12-23-18(6-7-21-23)22-19(25)15-9-16(20(26)29-2)11-17(10-15)24(27)28/h3-11H,12H2,1-2H3,(H,22,25)