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

Systemtic Name: [5-azanyl-1-(4-methoxyphenyl)sulfonyl-pyrazol-3-yl] 4-methoxy-3-nitro-benzoate Openeye Name: [5-amino-1-(4-methoxyphenyl)sulfonyl-pyrazol-3-yl] 4-methoxy-3-nitro-benzoate CAS Name: 4-methoxy-3-nitrobenzoic acid [5-amino-1-(4-methoxyphenyl)sulfonyl-3-pyrazolyl] ester IUPAC Name: [5-amino-1-(4-methoxyphenyl)sulfonylpyrazol-3-yl] 4-methoxy-3-nitrobenzoate Traditional Name: 4-methoxy-3-nitro-benzoic acid [5-amino-1-(4-methoxyphenyl)sulfonyl-pyrazol-3-yl] ester Formula: C18H16N4O8S MolecularWeight: 448.40664

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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(=C(C=C3)OC)[N+](=O)[O-])N

Isomeric SMILES

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

InChI

InChI=1S/C18H16N4O8S/c1-28-12-4-6-13(7-5-12)31(26,27)21-16(19)10-17(20-21)30-18(23)11-3-8-15(29-2)14(9-11)22(24)25/h3-10H,19H2,1-2H3