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

Systemtic Name: diethylaminomethyl 4-[[4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]phenyl]carbonylamino]benzoate Openeye Name: diethylaminomethyl 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 diethylaminomethyl ester IUPAC Name: diethylaminomethyl 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 diethylaminomethyl ester Formula: C25H29N5O5 MolecularWeight: 479.52826

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)COC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3C(=C(C(=N3)C)[N+](=O)[O-])C

Isomeric SMILES

CCN(CC)COC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3C(=C(C(=N3)C)[N+](=O)[O-])C

InChI

InChI=1S/C25H29N5O5/c1-5-28(6-2)16-35-25(32)21-11-13-22(14-12-21)26-24(31)20-9-7-19(8-10-20)15-29-18(4)23(30(33)34)17(3)27-29/h7-14H,5-6,15-16H2,1-4H3,(H,26,31)