(5-azanyl-1-naphthalen-2-ylsulfonyl-pyrazol-3-yl) 3-nitrobenzoate

Systemtic Name: (5-azanyl-1-naphthalen-2-ylsulfonyl-pyrazol-3-yl) 3-nitrobenzoate Openeye Name: [5-amino-1-(2-naphthylsulfonyl)pyrazol-3-yl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [5-amino-1-(2-naphthalenylsulfonyl)-3-pyrazolyl] ester IUPAC Name: (5-amino-1-naphthalen-2-ylsulfonylpyrazol-3-yl) 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [5-amino-1-(2-naphthylsulfonyl)pyrazol-3-yl] ester Formula: C20H14N4O6S MolecularWeight: 438.41336

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)N3C(=CC(=N3)OC(=O)C4=CC(=CC=C4)[N+](=O)[O-])N

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)N3C(=CC(=N3)OC(=O)C4=CC(=CC=C4)[N+](=O)[O-])N

InChI

InChI=1S/C20H14N4O6S/c21-18-12-19(30-20(25)15-6-3-7-16(10-15)24(26)27)22-23(18)31(28,29)17-9-8-13-4-1-2-5-14(13)11-17/h1-12H,21H2