4-[[4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methylamino]-2-nitro-benzoic acid

Systemtic Name: 4-[[4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methylamino]-2-nitro-benzoic acid Openeye Name: 4-[(4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene)methylamino]-2-nitro-benzoic acid CAS Name: 4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methylamino]-2-nitrobenzoic acid IUPAC Name: 4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methylamino]-2-nitrobenzoic acid Traditional Name: 4-[(4,6-diketo-2-thioxo-hexahydropyrimidin-5-ylidene)methylamino]-2-nitro-benzoic acid Formula: C12H8N4O6S MolecularWeight: 336.28012

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC=C2C(=O)NC(=S)NC2=O)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1NC=C2C(=O)NC(=S)NC2=O)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C12H8N4O6S/c17-9-7(10(18)15-12(23)14-9)4-13-5-1-2-6(11(19)20)8(3-5)16(21)22/h1-4,13H,(H,19,20)(H2,14,15,17,18,23)