[5-azanyl-1-(4-methoxyphenyl)sulfonyl-pyrazol-3-yl] 2-methyl-3-nitro-benzoate

Systemtic Name: [5-azanyl-1-(4-methoxyphenyl)sulfonyl-pyrazol-3-yl] 2-methyl-3-nitro-benzoate Openeye Name: [5-amino-1-(4-methoxyphenyl)sulfonyl-pyrazol-3-yl] 2-methyl-3-nitro-benzoate CAS Name: 2-methyl-3-nitrobenzoic acid [5-amino-1-(4-methoxyphenyl)sulfonyl-3-pyrazolyl] ester IUPAC Name: [5-amino-1-(4-methoxyphenyl)sulfonylpyrazol-3-yl] 2-methyl-3-nitrobenzoate Traditional Name: 2-methyl-3-nitro-benzoic acid [5-amino-1-(4-methoxyphenyl)sulfonyl-pyrazol-3-yl] ester Formula: C18H16N4O7S MolecularWeight: 432.40724

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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=C(C=C3)OC

Isomeric SMILES

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

InChI

InChI=1S/C18H16N4O7S/c1-11-14(4-3-5-15(11)22(24)25)18(23)29-17-10-16(19)21(20-17)30(26,27)13-8-6-12(28-2)7-9-13/h3-10H,19H2,1-2H3