methyl (2E)-2-[2-(dimethylamino)-5-oxidanylidene-1-[(Z)-1-phenylbutylideneamino]imidazol-4-ylidene]ethanoate

Systemtic Name: methyl (2E)-2-[2-(dimethylamino)-5-oxidanylidene-1-[(Z)-1-phenylbutylideneamino]imidazol-4-ylidene]ethanoate Openeye Name: methyl (2E)-2-[2-(dimethylamino)-5-oxo-1-[(Z)-1-phenylbutylideneamino]imidazol-4-ylidene]acetate CAS Name: (2E)-2-[2-(dimethylamino)-5-oxo-1-[(Z)-1-phenylbutylideneamino]-4-imidazolylidene]acetic acid methyl ester IUPAC Name: methyl (2E)-2-[2-(dimethylamino)-5-oxo-1-[(Z)-1-phenylbutylideneamino]imidazol-4-ylidene]acetate Traditional Name: (2E)-2-[2-(dimethylamino)-5-keto-1-[(Z)-1-phenylbutylideneamino]-2-imidazolin-4-ylidene]acetic acid methyl ester Formula: C18H22N4O3 MolecularWeight: 342.39228

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=NN1C(=O)C(=CC(=O)OC)N=C1N(C)C)C2=CC=CC=C2

Isomeric SMILES

CCC/C(=N/N1C(=O)/C(=C\C(=O)OC)/N=C1N(C)C)/C2=CC=CC=C2

InChI

InChI=1S/C18H22N4O3/c1-5-9-14(13-10-7-6-8-11-13)20-22-17(24)15(12-16(23)25-4)19-18(22)21(2)3/h6-8,10-12H,5,9H2,1-4H3/b15-12+,20-14-