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

Systemtic Name: 3-nitro-4-[[2,4,6-tris(oxidanylidene)-1,3-diazinan-5-ylidene]methylamino]benzoic acid Openeye Name: 3-nitro-4-[(2,4,6-trioxohexahydropyrimidin-5-ylidene)methylamino]benzoic acid CAS Name: 3-nitro-4-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methylamino]benzoic acid IUPAC Name: 3-nitro-4-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methylamino]benzoic acid Traditional Name: 3-nitro-4-[(2,4,6-triketohexahydropyrimidin-5-ylidene)methylamino]benzoic acid Formula: C12H8N4O7 MolecularWeight: 320.21452

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])NC=C2C(=O)NC(=O)NC2=O

Isomeric SMILES

C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])NC=C2C(=O)NC(=O)NC2=O

InChI

InChI=1S/C12H8N4O7/c17-9-6(10(18)15-12(21)14-9)4-13-7-2-1-5(11(19)20)3-8(7)16(22)23/h1-4,13H,(H,19,20)(H2,14,15,17,18,21)