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

Systemtic Name: methyl 4-[[4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]phenyl]carbonylamino]benzoate Openeye Name: methyl 4-[[4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzoyl]amino]benzoate CAS Name: 4-[[[4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]phenyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzoyl]amino]benzoate Traditional Name: 4-[[4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzoyl]amino]benzoic acid methyl ester Formula: C21H20N4O5 MolecularWeight: 408.4073

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)C(=O)OC)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)C(=O)OC)C)[N+](=O)[O-]

InChI

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