3-[(4-nitrophenyl)methyl]azepin-2-imine

Systemtic Name: 3-[(4-nitrophenyl)methyl]azepin-2-imine Openeye Name: 3-[(4-nitrophenyl)methyl]azepin-2-imine CAS Name: 3-[(4-nitrophenyl)methyl]-2-azepinimine IUPAC Name: 3-[(4-nitrophenyl)methyl]azepin-2-imine Traditional Name: [3-(4-nitrobenzyl)azepin-2-ylidene]amine Formula: C13H11N3O2 MolecularWeight: 241.24534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11N3O2/c14-13-11(3-1-2-8-15-13)9-10-4-6-12(7-5-10)16(17)18/h1-8,14H,9H2