[5-azanyl-1-(4-methoxyphenyl)sulfonyl-pyrazol-3-yl] 3-nitrobenzoate

Systemtic Name: [5-azanyl-1-(4-methoxyphenyl)sulfonyl-pyrazol-3-yl] 3-nitrobenzoate Openeye Name: [5-amino-1-(4-methoxyphenyl)sulfonyl-pyrazol-3-yl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [5-amino-1-(4-methoxyphenyl)sulfonyl-3-pyrazolyl] ester IUPAC Name: [5-amino-1-(4-methoxyphenyl)sulfonylpyrazol-3-yl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [5-amino-1-(4-methoxyphenyl)sulfonyl-pyrazol-3-yl] ester Formula: C17H14N4O7S MolecularWeight: 418.38066

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2C(=CC(=N2)OC(=O)C3=CC(=CC=C3)[N+](=O)[O-])N

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2C(=CC(=N2)OC(=O)C3=CC(=CC=C3)[N+](=O)[O-])N

InChI

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