[2,5-bis(oxidanylidene)pyrrolidin-1-yl] 4-[bis(azanyl)methylideneamino]-3-iodanyl-benzoate

Systemtic Name: [2,5-bis(oxidanylidene)pyrrolidin-1-yl] 4-[bis(azanyl)methylideneamino]-3-iodanyl-benzoate Openeye Name: (2,5-dioxopyrrolidin-1-yl) 4-guanidino-3-iodo-benzoate CAS Name: 4-(diaminomethylideneamino)-3-iodobenzoic acid (2,5-dioxo-1-pyrrolidinyl) ester IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 4-(diaminomethylideneamino)-3-iodobenzoate Traditional Name: 4-guanidino-3-iodo-benzoic acid succinimido ester Formula: C12H11IN4O4 MolecularWeight: 402.14461

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1=O)OC(=O)C2=CC(=C(C=C2)N=C(N)N)I

Isomeric SMILES

C1CC(=O)N(C1=O)OC(=O)C2=CC(=C(C=C2)N=C(N)N)I

InChI

InChI=1S/C12H11IN4O4/c13-7-5-6(1-2-8(7)16-12(14)15)11(20)21-17-9(18)3-4-10(17)19/h1-2,5H,3-4H2,(H4,14,15,16)