N-[bis(azanyl)methylidene]-4-[(E)-but-1-enyl]-2-methyl-5-nitro-benzamide

Systemtic Name: N-[bis(azanyl)methylidene]-4-[(E)-but-1-enyl]-2-methyl-5-nitro-benzamide Openeye Name: 4-[(E)-but-1-enyl]-N-(diaminomethylene)-2-methyl-5-nitro-benzamide CAS Name: 4-[(E)-but-1-enyl]-N-(diaminomethylidene)-2-methyl-5-nitrobenzamide IUPAC Name: 4-[(E)-but-1-enyl]-N-(diaminomethylidene)-2-methyl-5-nitrobenzamide Traditional Name: 4-[(E)-but-1-enyl]-N-(diaminomethylene)-2-methyl-5-nitro-benzamide Formula: C13H16N4O3 MolecularWeight: 276.29114

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Descriptors Computed from Structure

Canonical SMILES:

CCC=CC1=CC(=C(C=C1[N+](=O)[O-])C(=O)N=C(N)N)C

Isomeric SMILES

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

InChI

InChI=1S/C13H16N4O3/c1-3-4-5-9-6-8(2)10(7-11(9)17(19)20)12(18)16-13(14)15/h4-7H,3H2,1-2H3,(H4,14,15,16,18)/b5-4+