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

Systemtic Name: 4-[(Z)-[4,6-bis(oxidanylidene)-1-prop-2-enyl-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2-ethoxy-6-nitro-phenolate Openeye Name: 4-[(Z)-(1-allyl-4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]-2-ethoxy-6-nitro-phenolate CAS Name: 4-[(Z)-(4,6-dioxo-1-prop-2-enyl-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2-ethoxy-6-nitrophenolate IUPAC Name: 4-[(Z)-(4,6-dioxo-1-prop-2-enyl-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2-ethoxy-6-nitrophenolate Traditional Name: 4-[(Z)-(1-allyl-4,6-diketo-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]-2-ethoxy-6-nitro-phenolate Formula: C16H14N3O6S- MolecularWeight: 376.36386

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1[O-])[N+](=O)[O-])C=C2C(=O)NC(=S)N(C2=O)CC=C

Isomeric SMILES

CCOC1=CC(=CC(=C1[O-])[N+](=O)[O-])/C=C\2/C(=O)NC(=S)N(C2=O)CC=C

InChI

InChI=1S/C16H15N3O6S/c1-3-5-18-15(22)10(14(21)17-16(18)26)6-9-7-11(19(23)24)13(20)12(8-9)25-4-2/h3,6-8,20H,1,4-5H2,2H3,(H,17,21,26)/p-1/b10-6-