methyl 3-[[2-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]phenyl]carbonylamino]-4-methyl-benzoate

Systemtic Name: methyl 3-[[2-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]phenyl]carbonylamino]-4-methyl-benzoate Openeye Name: methyl 3-[[2-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzoyl]amino]-4-methyl-benzoate CAS Name: 3-[[[2-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]phenyl]-oxomethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[2-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzoyl]amino]-4-methylbenzoate Traditional Name: 3-[[2-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzoyl]amino]-4-methyl-benzoic acid methyl ester Formula: C22H22N4O5 MolecularWeight: 422.43388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)C2=CC=CC=C2CN3C(=C(C(=N3)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)C2=CC=CC=C2CN3C(=C(C(=N3)C)[N+](=O)[O-])C

InChI

InChI=1S/C22H22N4O5/c1-13-9-10-16(22(28)31-4)11-19(13)23-21(27)18-8-6-5-7-17(18)12-25-15(3)20(26(29)30)14(2)24-25/h5-11H,12H2,1-4H3,(H,23,27)