5-[2-(1H-benzimidazol-2-yl)ethylcarbamoyl]-2-nitro-phenolate

Systemtic Name: 5-[2-(1H-benzimidazol-2-yl)ethylcarbamoyl]-2-nitro-phenolate Openeye Name: 5-[2-(1H-benzimidazol-2-yl)ethylcarbamoyl]-2-nitro-phenolate CAS Name: 5-[[2-(1H-benzimidazol-2-yl)ethylamino]-oxomethyl]-2-nitrophenolate IUPAC Name: 5-[2-(1H-benzimidazol-2-yl)ethylcarbamoyl]-2-nitrophenolate Traditional Name: 5-[2-(1H-benzimidazol-2-yl)ethylcarbamoyl]-2-nitro-phenolate Formula: C16H13N4O4- MolecularWeight: 325.29882

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)CCNC(=O)C3=CC(=C(C=C3)[N+](=O)[O-])[O-]

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)CCNC(=O)C3=CC(=C(C=C3)[N+](=O)[O-])[O-]

InChI

InChI=1S/C16H14N4O4/c21-14-9-10(5-6-13(14)20(23)24)16(22)17-8-7-15-18-11-3-1-2-4-12(11)19-15/h1-6,9,21H,7-8H2,(H,17,22)(H,18,19)/p-1