2-nitro-6-[(1-prop-2-enylbenzimidazol-2-yl)iminomethyl]phenolate

Systemtic Name: 2-nitro-6-[(1-prop-2-enylbenzimidazol-2-yl)iminomethyl]phenolate Openeye Name: 2-[(1-allylbenzimidazol-2-yl)iminomethyl]-6-nitro-phenolate CAS Name: 2-nitro-6-[(1-prop-2-enyl-2-benzimidazolyl)iminomethyl]phenolate IUPAC Name: 2-nitro-6-[(1-prop-2-enylbenzimidazol-2-yl)iminomethyl]phenolate Traditional Name: 2-[(1-allylbenzimidazol-2-yl)iminomethyl]-6-nitro-phenolate Formula: C17H13N4O3- MolecularWeight: 321.31012

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C2=CC=CC=C2N=C1N=CC3=C(C(=CC=C3)[N+](=O)[O-])[O-]

Isomeric SMILES

C=CCN1C2=CC=CC=C2N=C1N=CC3=C(C(=CC=C3)[N+](=O)[O-])[O-]

InChI

InChI=1S/C17H14N4O3/c1-2-10-20-14-8-4-3-7-13(14)19-17(20)18-11-12-6-5-9-15(16(12)22)21(23)24/h2-9,11,22H,1,10H2/p-1