[5-azanyl-1-(4-methoxyphenyl)sulfonyl-pyrazol-3-yl] 2-nitrobenzoate

Systemtic Name: [5-azanyl-1-(4-methoxyphenyl)sulfonyl-pyrazol-3-yl] 2-nitrobenzoate Openeye Name: [5-amino-1-(4-methoxyphenyl)sulfonyl-pyrazol-3-yl] 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid [5-amino-1-(4-methoxyphenyl)sulfonyl-3-pyrazolyl] ester IUPAC Name: [5-amino-1-(4-methoxyphenyl)sulfonylpyrazol-3-yl] 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid [5-amino-1-(4-methoxyphenyl)sulfonyl-pyrazol-3-yl] ester Formula: C17H14N4O7S MolecularWeight: 418.38066

Click to see the large picture

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