N-[bis(azanyl)methylidene]-4-but-3-en-2-yl-2-methyl-5-nitro-benzamide

Systemtic Name: N-[bis(azanyl)methylidene]-4-but-3-en-2-yl-2-methyl-5-nitro-benzamide Openeye Name: N-(diaminomethylene)-2-methyl-4-(1-methylallyl)-5-nitro-benzamide CAS Name: 4-but-3-en-2-yl-N-(diaminomethylidene)-2-methyl-5-nitrobenzamide IUPAC Name: 4-but-3-en-2-yl-N-(diaminomethylidene)-2-methyl-5-nitrobenzamide Traditional Name: N-(diaminomethylene)-2-methyl-4-(1-methylallyl)-5-nitro-benzamide Formula: C13H16N4O3 MolecularWeight: 276.29114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)N=C(N)N)[N+](=O)[O-])C(C)C=C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)N=C(N)N)[N+](=O)[O-])C(C)C=C

InChI

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