2-[2-[methyl(prop-2-enyl)azaniumyl]ethanoylamino]-4-nitro-phenolate

Systemtic Name: 2-[2-[methyl(prop-2-enyl)azaniumyl]ethanoylamino]-4-nitro-phenolate Openeye Name: 2-[[2-[allyl(methyl)ammonio]acetyl]amino]-4-nitro-phenolate CAS Name: 2-[[2-[methyl(prop-2-enyl)ammonio]-1-oxoethyl]amino]-4-nitrophenolate IUPAC Name: 2-[[2-[methyl(prop-2-enyl)azaniumyl]acetyl]amino]-4-nitrophenolate Traditional Name: 2-[[2-[allyl(methyl)ammonio]acetyl]amino]-4-nitro-phenolate Formula: C12H15N3O4 MolecularWeight: 265.2652

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC=C)CC(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])[O-]

Isomeric SMILES

C[NH+](CC=C)CC(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])[O-]

InChI

InChI=1S/C12H15N3O4/c1-3-6-14(2)8-12(17)13-10-7-9(15(18)19)4-5-11(10)16/h3-5,7,16H,1,6,8H2,2H3,(H,13,17)