(5-azanyl-1-naphthalen-2-ylsulfonyl-pyrazol-3-yl) 2-methyl-3-nitro-benzoate

Systemtic Name: (5-azanyl-1-naphthalen-2-ylsulfonyl-pyrazol-3-yl) 2-methyl-3-nitro-benzoate Openeye Name: [5-amino-1-(2-naphthylsulfonyl)pyrazol-3-yl] 2-methyl-3-nitro-benzoate CAS Name: 2-methyl-3-nitrobenzoic acid [5-amino-1-(2-naphthalenylsulfonyl)-3-pyrazolyl] ester IUPAC Name: (5-amino-1-naphthalen-2-ylsulfonylpyrazol-3-yl) 2-methyl-3-nitrobenzoate Traditional Name: 2-methyl-3-nitro-benzoic acid [5-amino-1-(2-naphthylsulfonyl)pyrazol-3-yl] ester Formula: C21H16N4O6S MolecularWeight: 452.43994

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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=CC4=CC=CC=C4C=C3

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)OC2=NN(C(=C2)N)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C21H16N4O6S/c1-13-17(7-4-8-18(13)25(27)28)21(26)31-20-12-19(22)24(23-20)32(29,30)16-10-9-14-5-2-3-6-15(14)11-16/h2-12H,22H2,1H3