2-[2-(butylazaniumyl)ethylcarbamoyl]-6-nitro-phenolate

Systemtic Name: 2-[2-(butylazaniumyl)ethylcarbamoyl]-6-nitro-phenolate Openeye Name: 2-[2-(butylammonio)ethylcarbamoyl]-6-nitro-phenolate CAS Name: 2-[[2-(butylammonio)ethylamino]-oxomethyl]-6-nitrophenolate IUPAC Name: 2-[2-(butylazaniumyl)ethylcarbamoyl]-6-nitrophenolate Traditional Name: 2-[2-(butylammonio)ethylcarbamoyl]-6-nitro-phenolate Formula: C13H19N3O4 MolecularWeight: 281.30766

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH2+]CCNC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])[O-]

Isomeric SMILES

CCCC[NH2+]CCNC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])[O-]

InChI

InChI=1S/C13H19N3O4/c1-2-3-7-14-8-9-15-13(18)10-5-4-6-11(12(10)17)16(19)20/h4-6,14,17H,2-3,7-9H2,1H3,(H,15,18)