nitromethane; (3-nitrophenyl)-(1-pyridin-4-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone

Systemtic Name: nitromethane; (3-nitrophenyl)-(1-pyridin-4-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone Openeye Name: nitromethane; (3-nitrophenyl)-[1-(4-pyridyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone CAS Name: nitromethane; (3-nitrophenyl)-(1-pyridin-4-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone IUPAC Name: nitromethane; (3-nitrophenyl)-(1-pyridin-4-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone Traditional Name: nitromethane; (3-nitrophenyl)-[1-(4-pyridyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone Formula: C22H20N4O5 MolecularWeight: 420.418

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](=O)[O-].C1CN(C(C2=CC=CC=C21)C3=CC=NC=C3)C(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C[N+](=O)[O-].C1CN(C(C2=CC=CC=C21)C3=CC=NC=C3)C(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H17N3O3.CH3NO2/c25-21(17-5-3-6-18(14-17)24(26)27)23-13-10-15-4-1-2-7-19(15)20(23)16-8-11-22-12-9-16;1-2(3)4/h1-9,11-12,14,20H,10,13H2;1H3