N-[(E)-(4-chloranyl-3-nitro-phenyl)methylideneamino]-3,4,5,6-tetrahydro-2H-azepin-7-amine

Systemtic Name: N-[(E)-(4-chloranyl-3-nitro-phenyl)methylideneamino]-3,4,5,6-tetrahydro-2H-azepin-7-amine Openeye Name: N-[(E)-(4-chloro-3-nitro-phenyl)methyleneamino]-3,4,5,6-tetrahydro-2H-azepin-7-amine CAS Name: N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-3,4,5,6-tetrahydro-2H-azepin-7-amine IUPAC Name: N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-3,4,5,6-tetrahydro-2H-azepin-7-amine Traditional Name: [(E)-(4-chloro-3-nitro-benzylidene)amino]-(3,4,5,6-tetrahydro-2H-azepin-7-yl)amine Formula: C13H15ClN4O2 MolecularWeight: 294.7368

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=NCC1)NN=CC2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCC(=NCC1)N/N=C/C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C13H15ClN4O2/c14-11-6-5-10(8-12(11)18(19)20)9-16-17-13-4-2-1-3-7-15-13/h5-6,8-9H,1-4,7H2,(H,15,17)/b16-9+