1-nitro-2-phenyl-benzene; 2-(2-nitro-1-phenyl-ethyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine

Systemtic Name: 1-nitro-2-phenyl-benzene; 2-(2-nitro-1-phenyl-ethyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine Openeye Name: 1-nitro-2-phenyl-benzene; 2-(2-nitro-1-phenyl-ethyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine CAS Name: 1-nitro-2-phenylbenzene; 2-(2-nitro-1-phenylethyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine IUPAC Name: 1-nitro-2-phenylbenzene; 2-(2-nitro-1-phenylethyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine Traditional Name: 1-nitro-2-phenyl-benzene; [2-(2-nitro-1-phenyl-ethyl)-3,4,5,6-tetrahydro-2H-azepin-7-yl]amine Formula: C26H28N4O4 MolecularWeight: 460.52492

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N3O2.C12H9NO2/c15-14-9-5-4-8-13(16-14)12(10-17(18)19)11-6-2-1-3-7-11;14-13(15)12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-3,6-7,12-13H,4-5,8-10H2,(H2,15,16);1-9H