2-nitro-6-[(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)iminomethyl]-4-(phenylmethyl)phenolate

Systemtic Name: 2-nitro-6-[(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)iminomethyl]-4-(phenylmethyl)phenolate Openeye Name: 4-benzyl-2-nitro-6-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)iminomethyl]phenolate CAS Name: 2-nitro-6-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)iminomethyl]-4-(phenylmethyl)phenolate IUPAC Name: 4-benzyl-2-nitro-6-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)iminomethyl]phenolate Traditional Name: 4-benzyl-2-[(2-keto-1,3-dihydrobenzimidazol-5-yl)iminomethyl]-6-nitro-phenolate Formula: C21H15N4O4- MolecularWeight: 387.3682

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CC(=C(C(=C2)C=NC3=CC4=C(C=C3)NC(=O)N4)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC(=C(C(=C2)C=NC3=CC4=C(C=C3)NC(=O)N4)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H16N4O4/c26-20-15(12-22-16-6-7-17-18(11-16)24-21(27)23-17)9-14(10-19(20)25(28)29)8-13-4-2-1-3-5-13/h1-7,9-12,26H,8H2,(H2,23,24,27)/p-1