1-[[4-[(2-aminocarbonylaziridin-1-yl)-nitroso-methylidene]cyclohexa-2,5-dien-1-ylidene]-(oxidanylamino)methyl]aziridine-2-carboxamide

Systemtic Name: 1-[[4-[(2-aminocarbonylaziridin-1-yl)-nitroso-methylidene]cyclohexa-2,5-dien-1-ylidene]-(oxidanylamino)methyl]aziridine-2-carboxamide Openeye Name: 1-[[4-[(2-carbamoylaziridin-1-yl)-nitroso-methylene]cyclohexa-2,5-dien-1-ylidene]-(hydroxyamino)methyl]aziridine-2-carboxamide CAS Name: 1-[[4-[(2-carbamoyl-1-aziridinyl)-nitrosomethylidene]-1-cyclohexa-2,5-dienylidene]-(hydroxyamino)methyl]-2-aziridinecarboxamide IUPAC Name: 1-[[4-[(2-carbamoylaziridin-1-yl)-nitrosomethylidene]cyclohexa-2,5-dien-1-ylidene]-(hydroxyamino)methyl]aziridine-2-carboxamide Traditional Name: 1-[[4-[(2-carbamoylethylenimin-1-yl)-nitroso-methylene]cyclohexa-2,5-dien-1-ylidene]-(hydroxyamino)methyl]ethylenimine-2-carboxamide Formula: C14H16N6O4 MolecularWeight: 332.31464

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N1C(=C2C=CC(=C(N=O)N3CC3C(=O)N)C=C2)NO)C(=O)N

Isomeric SMILES

C1C(N1C(=C2C=CC(=C(N=O)N3CC3C(=O)N)C=C2)NO)C(=O)N

InChI

InChI=1S/C14H16N6O4/c15-11(21)9-5-19(9)13(17-23)7-1-2-8(4-3-7)14(18-24)20-6-10(20)12(16)22/h1-4,9-10,17,23H,5-6H2,(H2,15,21)(H2,16,22)