(4-pyrazol-1-ylphenyl)methyl 2-[[4-(methylamino)-3-nitro-phenyl]sulfonylamino]ethanoate

Systemtic Name: (4-pyrazol-1-ylphenyl)methyl 2-[[4-(methylamino)-3-nitro-phenyl]sulfonylamino]ethanoate Openeye Name: (4-pyrazol-1-ylphenyl)methyl 2-[[4-(methylamino)-3-nitro-phenyl]sulfonylamino]acetate CAS Name: 2-[[4-(methylamino)-3-nitrophenyl]sulfonylamino]acetic acid [4-(1-pyrazolyl)phenyl]methyl ester IUPAC Name: (4-pyrazol-1-ylphenyl)methyl 2-[[4-(methylamino)-3-nitrophenyl]sulfonylamino]acetate Traditional Name: 2-[[4-(methylamino)-3-nitro-phenyl]sulfonylamino]acetic acid (4-pyrazol-1-ylbenzyl) ester Formula: C19H19N5O6S MolecularWeight: 445.44906

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)OCC2=CC=C(C=C2)N3C=CC=N3)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)OCC2=CC=C(C=C2)N3C=CC=N3)[N+](=O)[O-]

InChI

InChI=1S/C19H19N5O6S/c1-20-17-8-7-16(11-18(17)24(26)27)31(28,29)22-12-19(25)30-13-14-3-5-15(6-4-14)23-10-2-9-21-23/h2-11,20,22H,12-13H2,1H3