ethanoic acid; 2-(4-methylpiperazin-1-yl)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]ethanamide

Systemtic Name: ethanoic acid; 2-(4-methylpiperazin-1-yl)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]ethanamide Openeye Name: acetic acid; 2-(4-methylpiperazin-1-yl)-N-[(E)-(5-nitro-2-furyl)methyleneamino]acetamide CAS Name: acetic acid; 2-(4-methyl-1-piperazinyl)-N-[(E)-(5-nitro-2-furanyl)methylideneamino]acetamide IUPAC Name: acetic acid; 2-(4-methylpiperazin-1-yl)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]acetamide Traditional Name: acetic acid; 2-(4-methylpiperazino)-N-[(E)-(5-nitro-2-furyl)methyleneamino]acetamide Formula: C14H21N5O6 MolecularWeight: 355.34644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N5O4.C2H4O2/c1-15-4-6-16(7-5-15)9-11(18)14-13-8-10-2-3-12(21-10)17(19)20;1-2(3)4/h2-3,8H,4-7,9H2,1H3,(H,14,18);1H3,(H,3,4)/b13-8+;