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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13N3O6S/c1-3-4-17-14(21)9(13(20)16-15(17)25)5-8-6-10(18(22)23)12(19)11(7-8)24-2/h3,5-7,19H,1,4H2,2H3,(H,16,20,25)/p-1/b9-5-