2-[2-(isocyanatomethyl)-4-nitro-phenyl]-3,4-dihydro-1H-isoquinoline

Systemtic Name: 2-[2-(isocyanatomethyl)-4-nitro-phenyl]-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[2-(isocyanatomethyl)-4-nitro-phenyl]-3,4-dihydro-1H-isoquinoline CAS Name: 2-[2-(isocyanatomethyl)-4-nitrophenyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-[2-(isocyanatomethyl)-4-nitrophenyl]-3,4-dihydro-1H-isoquinoline Traditional Name: 2-[2-(isocyanatomethyl)-4-nitro-phenyl]-3,4-dihydro-1H-isoquinoline Formula: C17H15N3O3 MolecularWeight: 309.3193

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C3=C(C=C(C=C3)[N+](=O)[O-])CN=C=O

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C3=C(C=C(C=C3)[N+](=O)[O-])CN=C=O

InChI

InChI=1S/C17H15N3O3/c21-12-18-10-15-9-16(20(22)23)5-6-17(15)19-8-7-13-3-1-2-4-14(13)11-19/h1-6,9H,7-8,10-11H2