2-[8-[[azanyl(nitramido)methylidene]amino]octanoylamino]-4-oxidanylidene-4-phenylmethoxy-butanoic acid

Systemtic Name: 2-[8-[[azanyl(nitramido)methylidene]amino]octanoylamino]-4-oxidanylidene-4-phenylmethoxy-butanoic acid Openeye Name: 2-[8-[[amino(nitramido)methylene]amino]octanoylamino]-4-benzyloxy-4-oxo-butanoic acid CAS Name: 2-[[8-[[amino(nitramido)methylidene]amino]-1-oxooctyl]amino]-4-oxo-4-phenylmethoxybutanoic acid IUPAC Name: 2-[8-[[amino(nitramido)methylidene]amino]octanoylamino]-4-oxo-4-phenylmethoxybutanoic acid Traditional Name: 2-[8-[[amino(nitramido)methylene]amino]octanoylamino]-4-benzoxy-4-keto-butyric acid Formula: C20H29N5O7 MolecularWeight: 451.47356

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CC(C(=O)O)NC(=O)CCCCCCCN=C(N)N[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CC(C(=O)O)NC(=O)CCCCCCCN=C(N)N[N+](=O)[O-]

InChI

InChI=1S/C20H29N5O7/c21-20(24-25(30)31)22-12-8-3-1-2-7-11-17(26)23-16(19(28)29)13-18(27)32-14-15-9-5-4-6-10-15/h4-6,9-10,16H,1-3,7-8,11-14H2,(H,23,26)(H,28,29)(H3,21,22,24)