methyl 3-[methyl-[(1-phenylpyrazol-4-yl)methyl]carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[methyl-[(1-phenylpyrazol-4-yl)methyl]carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[methyl-[(1-phenylpyrazol-4-yl)methyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[methyl-[(1-phenyl-4-pyrazolyl)methyl]amino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[methyl-[(1-phenylpyrazol-4-yl)methyl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[methyl-[(1-phenylpyrazol-4-yl)methyl]carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C20H18N4O5 MolecularWeight: 394.38072

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN(N=C1)C2=CC=CC=C2)C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CN(CC1=CN(N=C1)C2=CC=CC=C2)C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC

InChI

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