[5-azanyl-1-(phenylsulfonyl)pyrazol-3-yl] 4-methoxy-3-nitro-benzoate

Systemtic Name: [5-azanyl-1-(phenylsulfonyl)pyrazol-3-yl] 4-methoxy-3-nitro-benzoate Openeye Name: [5-amino-1-(benzenesulfonyl)pyrazol-3-yl] 4-methoxy-3-nitro-benzoate CAS Name: 4-methoxy-3-nitrobenzoic acid [5-amino-1-(benzenesulfonyl)-3-pyrazolyl] ester IUPAC Name: [5-amino-1-(benzenesulfonyl)pyrazol-3-yl] 4-methoxy-3-nitrobenzoate Traditional Name: 4-methoxy-3-nitro-benzoic acid (5-amino-1-besyl-pyrazol-3-yl) ester Formula: C17H14N4O7S MolecularWeight: 418.38066

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OC2=NN(C(=C2)N)S(=O)(=O)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OC2=NN(C(=C2)N)S(=O)(=O)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H14N4O7S/c1-27-14-8-7-11(9-13(14)21(23)24)17(22)28-16-10-15(18)20(19-16)29(25,26)12-5-3-2-4-6-12/h2-10H,18H2,1H3