2-azanyl-3-methyl-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]butanamide; ethanoic acid

Systemtic Name: 2-azanyl-3-methyl-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]butanamide; ethanoic acid Openeye Name: acetic acid; 2-amino-3-methyl-N-[(E)-(5-nitro-2-furyl)methyleneamino]butanamide CAS Name: acetic acid; 2-amino-3-methyl-N-[(E)-(5-nitro-2-furanyl)methylideneamino]butanamide IUPAC Name: acetic acid; 2-amino-3-methyl-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]butanamide Traditional Name: acetic acid; 2-amino-3-methyl-N-[(E)-(5-nitro-2-furyl)methyleneamino]butyramide Formula: C12H18N4O6 MolecularWeight: 314.29452

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NN=CC1=CC=C(O1)[N+](=O)[O-])N.CC(=O)O

Isomeric SMILES

CC(C)C(C(=O)N/N=C/C1=CC=C(O1)[N+](=O)[O-])N.CC(=O)O

InChI

InChI=1S/C10H14N4O4.C2H4O2/c1-6(2)9(11)10(15)13-12-5-7-3-4-8(18-7)14(16)17;1-2(3)4/h3-6,9H,11H2,1-2H3,(H,13,15);1H3,(H,3,4)/b12-5+;