methyl 2-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: methyl 2-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: methyl 2-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: 2-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: 2-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester Formula: C17H20N4O4 MolecularWeight: 344.3651

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CN2CC3=CC=CC=C3CC2C(=O)OC)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CN2CC3=CC=CC=C3CC2C(=O)OC)C)[N+](=O)[O-]

InChI

InChI=1S/C17H20N4O4/c1-11-16(21(23)24)12(2)20(18-11)10-19-9-14-7-5-4-6-13(14)8-15(19)17(22)25-3/h4-7,15H,8-10H2,1-3H3