4-[2-cyanoethyl(methyl)amino]-3-nitro-benzamide

Systemtic Name: 4-[2-cyanoethyl(methyl)amino]-3-nitro-benzamide Openeye Name: 4-[2-cyanoethyl(methyl)amino]-3-nitro-benzamide CAS Name: 4-[2-cyanoethyl(methyl)amino]-3-nitrobenzamide IUPAC Name: 4-[2-cyanoethyl(methyl)amino]-3-nitrobenzamide Traditional Name: 4-[2-cyanoethyl(methyl)amino]-3-nitro-benzamide Formula: C11H12N4O3 MolecularWeight: 248.23798

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C1=C(C=C(C=C1)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CN(CCC#N)C1=C(C=C(C=C1)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C11H12N4O3/c1-14(6-2-5-12)9-4-3-8(11(13)16)7-10(9)15(17)18/h3-4,7H,2,6H2,1H3,(H2,13,16)