(5-azanyl-1-naphthalen-2-ylsulfonyl-pyrazol-3-yl) 4-methoxy-3-nitro-benzoate

Systemtic Name: (5-azanyl-1-naphthalen-2-ylsulfonyl-pyrazol-3-yl) 4-methoxy-3-nitro-benzoate Openeye Name: [5-amino-1-(2-naphthylsulfonyl)pyrazol-3-yl] 4-methoxy-3-nitro-benzoate CAS Name: 4-methoxy-3-nitrobenzoic acid [5-amino-1-(2-naphthalenylsulfonyl)-3-pyrazolyl] ester IUPAC Name: (5-amino-1-naphthalen-2-ylsulfonylpyrazol-3-yl) 4-methoxy-3-nitrobenzoate Traditional Name: 4-methoxy-3-nitro-benzoic acid [5-amino-1-(2-naphthylsulfonyl)pyrazol-3-yl] ester Formula: C21H16N4O7S MolecularWeight: 468.43934

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OC2=NN(C(=C2)N)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OC2=NN(C(=C2)N)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H16N4O7S/c1-31-18-9-7-15(11-17(18)25(27)28)21(26)32-20-12-19(22)24(23-20)33(29,30)16-8-6-13-4-2-3-5-14(13)10-16/h2-12H,22H2,1H3