2-[2-(butylazaniumyl)ethylcarbamoyl]-4-nitro-phenolate

Systemtic Name: 2-[2-(butylazaniumyl)ethylcarbamoyl]-4-nitro-phenolate Openeye Name: 2-[2-(butylammonio)ethylcarbamoyl]-4-nitro-phenolate CAS Name: 2-[[2-(butylammonio)ethylamino]-oxomethyl]-4-nitrophenolate IUPAC Name: 2-[2-(butylazaniumyl)ethylcarbamoyl]-4-nitrophenolate Traditional Name: 2-[2-(butylammonio)ethylcarbamoyl]-4-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/c1-2-3-6-14-7-8-15-13(18)11-9-10(16(19)20)4-5-12(11)17/h4-5,9,14,17H,2-3,6-8H2,1H3,(H,15,18)