2-(2-azanylethyl)-N-(cyanomethyl)-4-nitro-benzamide

Systemtic Name: 2-(2-azanylethyl)-N-(cyanomethyl)-4-nitro-benzamide Openeye Name: 2-(2-aminoethyl)-N-(cyanomethyl)-4-nitro-benzamide CAS Name: 2-(2-aminoethyl)-N-(cyanomethyl)-4-nitrobenzamide IUPAC Name: 2-(2-aminoethyl)-N-(cyanomethyl)-4-nitrobenzamide Traditional Name: 2-(2-aminoethyl)-N-(cyanomethyl)-4-nitro-benzamide Formula: C11H12N4O3 MolecularWeight: 248.23798

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])CCN)C(=O)NCC#N

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])CCN)C(=O)NCC#N

InChI

InChI=1S/C11H12N4O3/c12-4-3-8-7-9(15(17)18)1-2-10(8)11(16)14-6-5-13/h1-2,7H,3-4,6,12H2,(H,14,16)