1-azanyl-2-butyl-1-[(2-nitrophenyl)amino]butane-1,4-diol

Systemtic Name: 1-azanyl-2-butyl-1-[(2-nitrophenyl)amino]butane-1,4-diol Openeye Name: 1-amino-2-butyl-1-(2-nitroanilino)butane-1,4-diol CAS Name: 1-amino-2-butyl-1-(2-nitroanilino)butane-1,4-diol IUPAC Name: 1-amino-2-butyl-1-(2-nitroanilino)butane-1,4-diol Traditional Name: 1-amino-2-butyl-1-(2-nitroanilino)butane-1,4-diol Formula: C14H23N3O4 MolecularWeight: 297.35012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H23N3O4/c1-2-3-6-11(9-10-18)14(15,19)16-12-7-4-5-8-13(12)17(20)21/h4-5,7-8,11,16,18-19H,2-3,6,9-10,15H2,1H3