naphthalen-1-yl 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzoate

Systemtic Name: naphthalen-1-yl 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzoate Openeye Name: 1-naphthyl 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzoate CAS Name: 4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]benzoic acid 1-naphthalenyl ester IUPAC Name: naphthalen-1-yl 4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzoate Traditional Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzoic acid 1-naphthyl ester Formula: C23H19N3O4 MolecularWeight: 401.41466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)OC3=CC=CC4=CC=CC=C43)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)OC3=CC=CC4=CC=CC=C43)C)[N+](=O)[O-]

InChI

InChI=1S/C23H19N3O4/c1-15-22(26(28)29)16(2)25(24-15)14-17-10-12-19(13-11-17)23(27)30-21-9-5-7-18-6-3-4-8-20(18)21/h3-13H,14H2,1-2H3