[5-azanyl-1-(phenylsulfonyl)pyrazol-3-yl] 2-methyl-3-nitro-benzoate

Systemtic Name: [5-azanyl-1-(phenylsulfonyl)pyrazol-3-yl] 2-methyl-3-nitro-benzoate Openeye Name: [5-amino-1-(benzenesulfonyl)pyrazol-3-yl] 2-methyl-3-nitro-benzoate CAS Name: 2-methyl-3-nitrobenzoic acid [5-amino-1-(benzenesulfonyl)-3-pyrazolyl] ester IUPAC Name: [5-amino-1-(benzenesulfonyl)pyrazol-3-yl] 2-methyl-3-nitrobenzoate Traditional Name: 2-methyl-3-nitro-benzoic acid (5-amino-1-besyl-pyrazol-3-yl) ester Formula: C17H14N4O6S MolecularWeight: 402.38126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)OC2=NN(C(=C2)N)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)OC2=NN(C(=C2)N)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C17H14N4O6S/c1-11-13(8-5-9-14(11)21(23)24)17(22)27-16-10-15(18)20(19-16)28(25,26)12-6-3-2-4-7-12/h2-10H,18H2,1H3