methyl 4-[(E)-[6-azanyl-2,4-bis(oxidanylidene)-1-propyl-pyrimidin-1-ium-5-ylidene]methyl]benzoate

Systemtic Name: methyl 4-[(E)-[6-azanyl-2,4-bis(oxidanylidene)-1-propyl-pyrimidin-1-ium-5-ylidene]methyl]benzoate Openeye Name: methyl 4-[(E)-(6-amino-2,4-dioxo-1-propyl-pyrimidin-1-ium-5-ylidene)methyl]benzoate CAS Name: 4-[(E)-(6-amino-2,4-dioxo-1-propyl-5-pyrimidin-1-iumylidene)methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-(6-amino-2,4-dioxo-1-propylpyrimidin-1-ium-5-ylidene)methyl]benzoate Traditional Name: 4-[(E)-(6-amino-2,4-diketo-1-propyl-pyrimidin-1-ium-5-ylidene)methyl]benzoic acid methyl ester Formula: C16H18N3O4+ MolecularWeight: 316.33182

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1=C(C(=CC2=CC=C(C=C2)C(=O)OC)C(=O)NC1=O)N

Isomeric SMILES

CCC[N+]1=C(/C(=C\C2=CC=C(C=C2)C(=O)OC)/C(=O)NC1=O)N

InChI

InChI=1S/C16H17N3O4/c1-3-8-19-13(17)12(14(20)18-16(19)22)9-10-4-6-11(7-5-10)15(21)23-2/h4-7,9,17H,3,8H2,1-2H3,(H,18,20,22)/p+1/b12-9+