2-[(2-chloranyl-4-nitro-phenyl)amino]ethyl-(furan-2-ylmethyl)azanium

Systemtic Name: 2-[(2-chloranyl-4-nitro-phenyl)amino]ethyl-(furan-2-ylmethyl)azanium Openeye Name: 2-(2-chloro-4-nitro-anilino)ethyl-(2-furylmethyl)ammonium CAS Name: 2-(2-chloro-4-nitroanilino)ethyl-(2-furanylmethyl)ammonium IUPAC Name: 2-(2-chloro-4-nitroanilino)ethyl-(furan-2-ylmethyl)azanium Traditional Name: 2-(2-chloro-4-nitro-anilino)ethyl-(2-furfuryl)ammonium Formula: C13H15ClN3O3+ MolecularWeight: 296.7295

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)C[NH2+]CCNC2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

C1=COC(=C1)C[NH2+]CCNC2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C13H14ClN3O3/c14-12-8-10(17(18)19)3-4-13(12)16-6-5-15-9-11-2-1-7-20-11/h1-4,7-8,15-16H,5-6,9H2/p+1