morpholin-4-amine; N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]pentanamide

Systemtic Name: morpholin-4-amine; N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]pentanamide Openeye Name: morpholin-4-amine; N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]pentanamide CAS Name: 4-morpholinamine; N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]pentanamide IUPAC Name: morpholin-4-amine; N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]pentanamide Traditional Name: morpholinoamine; N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]valeramide Formula: C17H25N5O6 MolecularWeight: 395.4103

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NN=CC1=CC2=C(C=C1[N+](=O)[O-])OCO2.C1COCCN1N

Isomeric SMILES

CCCCC(=O)N/N=C/C1=CC2=C(C=C1[N+](=O)[O-])OCO2.C1COCCN1N

InChI

InChI=1S/C13H15N3O5.C4H10N2O/c1-2-3-4-13(17)15-14-7-9-5-11-12(21-8-20-11)6-10(9)16(18)19;5-6-1-3-7-4-2-6/h5-7H,2-4,8H2,1H3,(H,15,17);1-5H2/b14-7+;