4-nitro-2-[(1-propylbenzimidazol-2-yl)iminomethyl]phenolate

Systemtic Name: 4-nitro-2-[(1-propylbenzimidazol-2-yl)iminomethyl]phenolate Openeye Name: 4-nitro-2-[(1-propylbenzimidazol-2-yl)iminomethyl]phenolate CAS Name: 4-nitro-2-[(1-propyl-2-benzimidazolyl)iminomethyl]phenolate IUPAC Name: 4-nitro-2-[(1-propylbenzimidazol-2-yl)iminomethyl]phenolate Traditional Name: 4-nitro-2-[(1-propylbenzimidazol-2-yl)iminomethyl]phenolate Formula: C17H15N4O3- MolecularWeight: 323.326

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CC=CC=C2N=C1N=CC3=C(C=CC(=C3)[N+](=O)[O-])[O-]

Isomeric SMILES

CCCN1C2=CC=CC=C2N=C1N=CC3=C(C=CC(=C3)[N+](=O)[O-])[O-]

InChI

InChI=1S/C17H16N4O3/c1-2-9-20-15-6-4-3-5-14(15)19-17(20)18-11-12-10-13(21(23)24)7-8-16(12)22/h3-8,10-11,22H,2,9H2,1H3/p-1