ethyl 2-[2-azanyl-3-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzimidazol-1-ium-1-yl]ethanoate

Systemtic Name: ethyl 2-[2-azanyl-3-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzimidazol-1-ium-1-yl]ethanoate Openeye Name: ethyl 2-[2-amino-3-[(E)-(5-nitro-2-furyl)methyleneamino]benzimidazol-1-ium-1-yl]acetate CAS Name: 2-[2-amino-3-[(E)-(5-nitro-2-furanyl)methylideneamino]-1-benzimidazol-1-iumyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-amino-3-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzimidazol-1-ium-1-yl]acetate Traditional Name: 2-[2-amino-3-[(E)-(5-nitro-2-furyl)methyleneamino]benzimidazol-1-ium-1-yl]acetic acid ethyl ester Formula: C16H16N5O5+ MolecularWeight: 358.32874

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C[N+]1=C(N(C2=CC=CC=C21)N=CC3=CC=C(O3)[N+](=O)[O-])N

Isomeric SMILES

CCOC(=O)C[N+]1=C(N(C2=CC=CC=C21)/N=C/C3=CC=C(O3)[N+](=O)[O-])N

InChI

InChI=1S/C16H15N5O5/c1-2-25-15(22)10-19-12-5-3-4-6-13(12)20(16(19)17)18-9-11-7-8-14(26-11)21(23)24/h3-9,17H,2,10H2,1H3/p+1/b18-9+