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

Systemtic Name: butanedioic acid; 2-(4-methylpiperazin-1-yl)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]ethanamide Openeye Name: 2-(4-methylpiperazin-1-yl)-N-[(E)-(5-nitro-2-furyl)methyleneamino]acetamide; succinic acid CAS Name: butanedioic acid; 2-(4-methyl-1-piperazinyl)-N-[(E)-(5-nitro-2-furanyl)methylideneamino]acetamide IUPAC Name: butanedioic acid; 2-(4-methylpiperazin-1-yl)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]acetamide Traditional Name: 2-(4-methylpiperazino)-N-[(E)-(5-nitro-2-furyl)methyleneamino]acetamide; succinic acid Formula: C16H23N5O8 MolecularWeight: 413.38252

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N5O4.C4H6O4/c1-15-4-6-16(7-5-15)9-11(18)14-13-8-10-2-3-12(21-10)17(19)20;5-3(6)1-2-4(7)8/h2-3,8H,4-7,9H2,1H3,(H,14,18);1-2H2,(H,5,6)(H,7,8)/b13-8+;