N-(cyanomethyl)-2-[[4-(dimethylamino)-2-nitro-phenyl]amino]propanamide

Systemtic Name: N-(cyanomethyl)-2-[[4-(dimethylamino)-2-nitro-phenyl]amino]propanamide Openeye Name: N-(cyanomethyl)-2-[4-(dimethylamino)-2-nitro-anilino]propanamide CAS Name: N-(cyanomethyl)-2-[4-(dimethylamino)-2-nitroanilino]propanamide IUPAC Name: N-(cyanomethyl)-2-[4-(dimethylamino)-2-nitroanilino]propanamide Traditional Name: N-(cyanomethyl)-2-[4-(dimethylamino)-2-nitro-anilino]propionamide Formula: C13H17N5O3 MolecularWeight: 291.30578

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC#N)NC1=C(C=C(C=C1)N(C)C)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NCC#N)NC1=C(C=C(C=C1)N(C)C)[N+](=O)[O-]

InChI

InChI=1S/C13H17N5O3/c1-9(13(19)15-7-6-14)16-11-5-4-10(17(2)3)8-12(11)18(20)21/h4-5,8-9,16H,7H2,1-3H3,(H,15,19)