1-(3,4-dihydro-1H-isochromen-1-yl)-N-[(4-nitrophenyl)methyl]methanamine

Systemtic Name: 1-(3,4-dihydro-1H-isochromen-1-yl)-N-[(4-nitrophenyl)methyl]methanamine Openeye Name: 1-isochroman-1-yl-N-[(4-nitrophenyl)methyl]methanamine CAS Name: 1-(3,4-dihydro-1H-2-benzopyran-1-yl)-N-[(4-nitrophenyl)methyl]methanamine IUPAC Name: 1-(3,4-dihydro-1H-isochromen-1-yl)-N-[(4-nitrophenyl)methyl]methanamine Traditional Name: isochroman-1-ylmethyl-(4-nitrobenzyl)amine Formula: C17H18N2O3 MolecularWeight: 298.33642

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(C2=CC=CC=C21)CNCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1COC(C2=CC=CC=C21)CNCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H18N2O3/c20-19(21)15-7-5-13(6-8-15)11-18-12-17-16-4-2-1-3-14(16)9-10-22-17/h1-8,17-18H,9-12H2