2-azanyl-4-azido-2-nitro-3-phenyl-undecanoic acid

Systemtic Name: 2-azanyl-4-azido-2-nitro-3-phenyl-undecanoic acid Openeye Name: 2-amino-4-azido-2-nitro-3-phenyl-undecanoic acid CAS Name: 2-amino-4-azido-2-nitro-3-phenylundecanoic acid IUPAC Name: 2-amino-4-azido-2-nitro-3-phenylundecanoic acid Traditional Name: 2-amino-4-azido-2-nitro-3-phenyl-undecanoic acid Formula: C17H25N5O4 MolecularWeight: 363.4115

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(C(C1=CC=CC=C1)C(C(=O)O)(N)[N+](=O)[O-])N=[N+]=[N-]

Isomeric SMILES

CCCCCCCC(C(C1=CC=CC=C1)C(C(=O)O)(N)[N+](=O)[O-])N=[N+]=[N-]

InChI

InChI=1S/C17H25N5O4/c1-2-3-4-5-9-12-14(20-21-19)15(13-10-7-6-8-11-13)17(18,16(23)24)22(25)26/h6-8,10-11,14-15H,2-5,9,12,18H2,1H3,(H,23,24)