3-(4-methylpiperazin-1-yl)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]propanamide hydrate

Systemtic Name: 3-(4-methylpiperazin-1-yl)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]propanamide hydrate Openeye Name: 3-(4-methylpiperazin-1-yl)-N-[(E)-(5-nitro-2-furyl)methyleneamino]propanamide hydrate CAS Name: 3-(4-methyl-1-piperazinyl)-N-[(E)-(5-nitro-2-furanyl)methylideneamino]propanamide hydrate IUPAC Name: 3-(4-methylpiperazin-1-yl)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]propanamide hydrate Traditional Name: 3-(4-methylpiperazino)-N-[(E)-(5-nitro-2-furyl)methyleneamino]propionamide hydrate Formula: C13H21N5O5 MolecularWeight: 327.33634

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCC(=O)NN=CC2=CC=C(O2)[N+](=O)[O-].O

Isomeric SMILES

CN1CCN(CC1)CCC(=O)N/N=C/C2=CC=C(O2)[N+](=O)[O-].O

InChI

InChI=1S/C13H19N5O4.H2O/c1-16-6-8-17(9-7-16)5-4-12(19)15-14-10-11-2-3-13(22-11)18(20)21;/h2-3,10H,4-9H2,1H3,(H,15,19);1H2/b14-10+;