[2-[[2-(2-chloranylethanoylamino)-4,5-dimethoxy-phenyl]amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: [2-[[2-(2-chloranylethanoylamino)-4,5-dimethoxy-phenyl]amino]-2-oxidanylidene-ethyl]azanium Openeye Name: [2-[2-[(2-chloroacetyl)amino]-4,5-dimethoxy-anilino]-2-oxo-ethyl]ammonium CAS Name: [2-[2-[(2-chloro-1-oxoethyl)amino]-4,5-dimethoxyanilino]-2-oxoethyl]ammonium IUPAC Name: [2-[2-[(2-chloroacetyl)amino]-4,5-dimethoxyanilino]-2-oxoethyl]azanium Traditional Name: [2-[2-[(2-chloroacetyl)amino]-4,5-dimethoxy-anilino]-2-keto-ethyl]ammonium Formula: C12H17ClN3O4+ MolecularWeight: 302.73408

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)NC(=O)C[NH3+])NC(=O)CCl)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)NC(=O)C[NH3+])NC(=O)CCl)OC

InChI

InChI=1S/C12H16ClN3O4/c1-19-9-3-7(15-11(17)5-13)8(4-10(9)20-2)16-12(18)6-14/h3-4H,5-6,14H2,1-2H3,(H,15,17)(H,16,18)/p+1