1-(2-methylpropylamino)-2-nitro-1-phenylazanyl-butane-1,4-diol

Systemtic Name: 1-(2-methylpropylamino)-2-nitro-1-phenylazanyl-butane-1,4-diol Openeye Name: 1-anilino-1-(isobutylamino)-2-nitro-butane-1,4-diol CAS Name: 1-anilino-1-(2-methylpropylamino)-2-nitrobutane-1,4-diol IUPAC Name: 1-anilino-1-(2-methylpropylamino)-2-nitrobutane-1,4-diol Traditional Name: 1-anilino-1-(isobutylamino)-2-nitro-butane-1,4-diol Formula: C14H23N3O4 MolecularWeight: 297.35012

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(C(CCO)[N+](=O)[O-])(NC1=CC=CC=C1)O

Isomeric SMILES

CC(C)CNC(C(CCO)[N+](=O)[O-])(NC1=CC=CC=C1)O

InChI

InChI=1S/C14H23N3O4/c1-11(2)10-15-14(19,13(8-9-18)17(20)21)16-12-6-4-3-5-7-12/h3-7,11,13,15-16,18-19H,8-10H2,1-2H3