methyl 5-azanyl-2-[[1-azanyl-2,2-bis[nitroso(oxidanyl)amino]-3-phenyl-propylidene]amino]pentanoate

Systemtic Name: methyl 5-azanyl-2-[[1-azanyl-2,2-bis[nitroso(oxidanyl)amino]-3-phenyl-propylidene]amino]pentanoate Openeye Name: methyl 5-amino-2-[[1-amino-2,2-bis[hydroxy(nitroso)amino]-3-phenyl-propylidene]amino]pentanoate CAS Name: 5-amino-2-[[1-amino-2,2-bis[hydroxy(nitroso)amino]-3-phenylpropylidene]amino]pentanoic acid methyl ester IUPAC Name: methyl 5-amino-2-[[1-amino-2,2-bis[hydroxy(nitroso)amino]-3-phenylpropylidene]amino]pentanoate Traditional Name: 5-amino-2-[[1-amino-2,2-bis[hydroxy(nitroso)amino]-3-phenyl-propylidene]amino]valeric acid methyl ester Formula: C15H23N7O6 MolecularWeight: 397.38642

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCCN)N=C(C(CC1=CC=CC=C1)(N(N=O)O)N(N=O)O)N

Isomeric SMILES

COC(=O)C(CCCN)N=C(C(CC1=CC=CC=C1)(N(N=O)O)N(N=O)O)N

InChI

InChI=1S/C15H23N7O6/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/h2-4,6-7,12,26-27H,5,8-10,16H2,1H3,(H2,17,18)