N-[5-[bis(azanyl)methylideneamino]-2-nitramido-pentanoyl]-N-hexan-3-yl-2-oxidanylidene-chromene-3-carboxamide

Systemtic Name: N-[5-[bis(azanyl)methylideneamino]-2-nitramido-pentanoyl]-N-hexan-3-yl-2-oxidanylidene-chromene-3-carboxamide Openeye Name: N-(1-ethylbutyl)-N-(5-guanidino-2-nitramido-pentanoyl)-2-oxo-chromene-3-carboxamide CAS Name: N-[5-(diaminomethylideneamino)-2-nitramido-1-oxopentyl]-N-hexan-3-yl-2-oxo-1-benzopyran-3-carboxamide IUPAC Name: N-[5-(diaminomethylideneamino)-2-nitramidopentanoyl]-N-hexan-3-yl-2-oxochromene-3-carboxamide Traditional Name: N-(1-ethylbutyl)-N-(5-guanidino-2-nitramido-pentanoyl)-2-keto-chromene-3-carboxamide Formula: C22H30N6O6 MolecularWeight: 474.5102

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC)N(C(=O)C1=CC2=CC=CC=C2OC1=O)C(=O)C(CCCN=C(N)N)N[N+](=O)[O-]

Isomeric SMILES

CCCC(CC)N(C(=O)C1=CC2=CC=CC=C2OC1=O)C(=O)C(CCCN=C(N)N)N[N+](=O)[O-]

InChI

InChI=1S/C22H30N6O6/c1-3-8-15(4-2)27(20(30)17(26-28(32)33)10-7-12-25-22(23)24)19(29)16-13-14-9-5-6-11-18(14)34-21(16)31/h5-6,9,11,13,15,17,26H,3-4,7-8,10,12H2,1-2H3,(H4,23,24,25)