disodium (5-azanidyl-1-methoxy-1-oxidanylidene-pentan-2-yl)-[2,2-bis[nitroso(oxidanyl)amino]-3-phenyl-propanimidoyl]azanide

Systemtic Name: disodium (5-azanidyl-1-methoxy-1-oxidanylidene-pentan-2-yl)-[2,2-bis[nitroso(oxidanyl)amino]-3-phenyl-propanimidoyl]azanide Openeye Name: disodium (4-azanidyl-1-methoxycarbonyl-butyl)-[2,2-bis[hydroxy(nitroso)amino]-3-phenyl-propanimidoyl]azanide CAS Name: disodium (5-azanidyl-1-methoxy-1-oxopentan-2-yl)-[2,2-bis[hydroxy(nitroso)amino]-1-imino-3-phenylpropyl]azanide IUPAC Name: disodium (5-azanidyl-1-methoxy-1-oxopentan-2-yl)-[2,2-bis[hydroxy(nitroso)amino]-3-phenylpropanimidoyl]azanide Traditional Name: disodium (4-amidyl-1-carbomethoxy-butyl)-[2,2-bis[hydroxy(nitroso)amino]-3-phenyl-propanimidoyl]azanide Formula: C15H21N7Na2O6 MolecularWeight: 441.35008

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCC[NH-])[N-]C(=N)C(CC1=CC=CC=C1)(N(N=O)O)N(N=O)O.[Na+].[Na+]

Isomeric SMILES

COC(=O)C(CCC[NH-])[N-]C(=N)C(CC1=CC=CC=C1)(N(N=O)O)N(N=O)O.[Na+].[Na+]

InChI

InChI=1S/C15H21N7O6.2Na/c1-28-13(23)12(8-5-9-16)18-14(17)15(21(26)19-24,22(27)20-25)10-11-6-3-2-4-7-11;;/h2-4,6-7,12,16,26-27H,5,8-10H2,1H3,(H-,17,18);;/q-2;2*+1