N-methyl-1-(4-nitrophenyl)methanamine; 5-nitro-2,3-dihydro-1H-indene

Systemtic Name: N-methyl-1-(4-nitrophenyl)methanamine; 5-nitro-2,3-dihydro-1H-indene Openeye Name: N-methyl-1-(4-nitrophenyl)methanamine; 5-nitroindane CAS Name: N-methyl-1-(4-nitrophenyl)methanamine; 5-nitro-2,3-dihydro-1H-indene IUPAC Name: N-methyl-1-(4-nitrophenyl)methanamine; 5-nitro-2,3-dihydro-1H-indene Traditional Name: methyl-(4-nitrobenzyl)amine; 5-nitroindane Formula: C17H19N3O4 MolecularWeight: 329.35046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNCC1=CC=C(C=C1)[N+](=O)[O-].C1CC2=C(C1)C=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CNCC1=CC=C(C=C1)[N+](=O)[O-].C1CC2=C(C1)C=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C9H9NO2.C8H10N2O2/c11-10(12)9-5-4-7-2-1-3-8(7)6-9;1-9-6-7-2-4-8(5-3-7)10(11)12/h4-6H,1-3H2;2-5,9H,6H2,1H3