2-[(4-nitrophenyl)methyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine

Systemtic Name: 2-[(4-nitrophenyl)methyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine Openeye Name: 2-[(4-nitrophenyl)methyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine CAS Name: 2-[(4-nitrophenyl)methyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine IUPAC Name: 2-[(4-nitrophenyl)methyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine Traditional Name: [2-(4-nitrobenzyl)-3,4,5,6-tetrahydro-2H-azepin-7-yl]amine Formula: C13H17N3O2 MolecularWeight: 247.29298

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=NC(C1)CC2=CC=C(C=C2)[N+](=O)[O-])N

Isomeric SMILES

C1CCC(=NC(C1)CC2=CC=C(C=C2)[N+](=O)[O-])N

InChI

InChI=1S/C13H17N3O2/c14-13-4-2-1-3-11(15-13)9-10-5-7-12(8-6-10)16(17)18/h5-8,11H,1-4,9H2,(H2,14,15)