methyl 2-[[(E)-(4-bromophenyl)methylideneamino]-methyl-amino]-6-chloranyl-1-(2-methoxy-2-oxidanylidene-ethanoyl)-1aH-azirino[1,2-a]quinoxaline-1-carboxylate

Systemtic Name: methyl 2-[[(E)-(4-bromophenyl)methylideneamino]-methyl-amino]-6-chloranyl-1-(2-methoxy-2-oxidanylidene-ethanoyl)-1aH-azirino[1,2-a]quinoxaline-1-carboxylate Openeye Name: methyl 2-[[(E)-(4-bromophenyl)methyleneamino]-methyl-amino]-6-chloro-1-(2-methoxy-2-oxo-acetyl)-1aH-azirino[1,2-a]quinoxaline-1-carboxylate CAS Name: 2-[[(E)-(4-bromophenyl)methylideneamino]-methylamino]-6-chloro-1-(2-methoxy-1,2-dioxoethyl)-1aH-azirino[1,2-a]quinoxaline-1-carboxylic acid methyl ester IUPAC Name: methyl 2-[[(E)-(4-bromophenyl)methylideneamino]-methylamino]-6-chloro-1-(2-methoxy-2-oxoacetyl)-1aH-azirino[1,2-a]quinoxaline-1-carboxylate Traditional Name: 2-[[(E)-(4-bromobenzylidene)amino]-methyl-amino]-6-chloro-1-methoxalyl-1aH-azirino[1,2-a]quinoxaline-1-carboxylic acid methyl ester Formula: C22H18BrClN4O5 MolecularWeight: 533.75912

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=NC2=C(C=C(C=C2)Cl)N3C1C3(C(=O)C(=O)OC)C(=O)OC)N=CC4=CC=C(C=C4)Br

Isomeric SMILES

CN(C1=NC2=C(C=C(C=C2)Cl)N3C1C3(C(=O)C(=O)OC)C(=O)OC)/N=C/C4=CC=C(C=C4)Br

InChI

InChI=1S/C22H18BrClN4O5/c1-27(25-11-12-4-6-13(23)7-5-12)19-17-22(21(31)33-3,18(29)20(30)32-2)28(17)16-10-14(24)8-9-15(16)26-19/h4-11,17H,1-3H3/b25-11+