2-[(E)-[4,6-bis(oxidanylidene)-1-prop-2-enyl-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-4-nitro-phenolate

Systemtic Name: 2-[(E)-[4,6-bis(oxidanylidene)-1-prop-2-enyl-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-4-nitro-phenolate Openeye Name: 2-[(E)-(1-allyl-4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]-4-nitro-phenolate CAS Name: 2-[(E)-(4,6-dioxo-1-prop-2-enyl-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-4-nitrophenolate IUPAC Name: 2-[(E)-(4,6-dioxo-1-prop-2-enyl-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-4-nitrophenolate Traditional Name: 2-[(E)-(1-allyl-4,6-diketo-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]-4-nitro-phenolate Formula: C14H10N3O5S- MolecularWeight: 332.3113

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C(=CC2=C(C=CC(=C2)[N+](=O)[O-])[O-])C(=O)NC1=S

Isomeric SMILES

C=CCN1C(=O)/C(=C/C2=C(C=CC(=C2)[N+](=O)[O-])[O-])/C(=O)NC1=S

InChI

InChI=1S/C14H11N3O5S/c1-2-5-16-13(20)10(12(19)15-14(16)23)7-8-6-9(17(21)22)3-4-11(8)18/h2-4,6-7,18H,1,5H2,(H,15,19,23)/p-1/b10-7+