3,4-dihydro-1H-isoquinolin-2-yl-(3-methoxy-4-nitro-1H-pyrazol-5-yl)methanone

Systemtic Name: 3,4-dihydro-1H-isoquinolin-2-yl-(3-methoxy-4-nitro-1H-pyrazol-5-yl)methanone Openeye Name: 3,4-dihydro-1H-isoquinolin-2-yl-(3-methoxy-4-nitro-1H-pyrazol-5-yl)methanone CAS Name: 3,4-dihydro-1H-isoquinolin-2-yl-(3-methoxy-4-nitro-1H-pyrazol-5-yl)methanone IUPAC Name: 3,4-dihydro-1H-isoquinolin-2-yl-(3-methoxy-4-nitro-1H-pyrazol-5-yl)methanone Traditional Name: 3,4-dihydro-1H-isoquinolin-2-yl-(3-methoxy-4-nitro-1H-pyrazol-5-yl)methanone Formula: C14H14N4O4 MolecularWeight: 302.28536

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NNC(=C1[N+](=O)[O-])C(=O)N2CCC3=CC=CC=C3C2

Isomeric SMILES

COC1=NNC(=C1[N+](=O)[O-])C(=O)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C14H14N4O4/c1-22-13-12(18(20)21)11(15-16-13)14(19)17-7-6-9-4-2-3-5-10(9)8-17/h2-5H,6-8H2,1H3,(H,15,16)