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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11N3O5S/c1-2-5-16-13(20)9(12(19)15-14(16)23)6-8-3-4-11(18)10(7-8)17(21)22/h2-4,6-7,18H,1,5H2,(H,15,19,23)/p-1/b9-6-