2-[(3-nitrophenyl)methyl]-3,4,4a,8a-tetrahydro-1H-isoquinoline

Systemtic Name: 2-[(3-nitrophenyl)methyl]-3,4,4a,8a-tetrahydro-1H-isoquinoline Openeye Name: 2-[(3-nitrophenyl)methyl]-3,4,4a,8a-tetrahydro-1H-isoquinoline CAS Name: 2-[(3-nitrophenyl)methyl]-3,4,4a,8a-tetrahydro-1H-isoquinoline IUPAC Name: 2-[(3-nitrophenyl)methyl]-3,4,4a,8a-tetrahydro-1H-isoquinoline Traditional Name: 2-(3-nitrobenzyl)-3,4,4a,8a-tetrahydro-1H-isoquinoline Formula: C16H18N2O2 MolecularWeight: 270.32632

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2C1C=CC=C2)CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC2C1C=CC=C2)CC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H18N2O2/c19-18(20)16-7-3-4-13(10-16)11-17-9-8-14-5-1-2-6-15(14)12-17/h1-7,10,14-15H,8-9,11-12H2