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

Systemtic Name: 2-[(E)-[4,6-bis(oxidanylidene)-1-prop-2-enyl-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-6-methoxy-4-nitro-phenolate Openeye Name: 2-[(E)-(1-allyl-4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]-6-methoxy-4-nitro-phenolate CAS Name: 2-[(E)-(4,6-dioxo-1-prop-2-enyl-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-6-methoxy-4-nitrophenolate IUPAC Name: 2-[(E)-(4,6-dioxo-1-prop-2-enyl-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-6-methoxy-4-nitrophenolate Traditional Name: 2-[(E)-(1-allyl-4,6-diketo-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]-6-methoxy-4-nitro-phenolate Formula: C15H12N3O6S- MolecularWeight: 362.33728

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)[N+](=O)[O-])C=C2C(=O)NC(=S)N(C2=O)CC=C)[O-]

Isomeric SMILES

COC1=C(C(=CC(=C1)[N+](=O)[O-])/C=C/2\C(=O)NC(=S)N(C2=O)CC=C)[O-]

InChI

InChI=1S/C15H13N3O6S/c1-3-4-17-14(21)10(13(20)16-15(17)25)6-8-5-9(18(22)23)7-11(24-2)12(8)19/h3,5-7,19H,1,4H2,2H3,(H,16,20,25)/p-1/b10-6+