N-(2-bromanyl-4-methyl-phenyl)-4-[(2-nitrophenyl)amino]butanamide

Systemtic Name: N-(2-bromanyl-4-methyl-phenyl)-4-[(2-nitrophenyl)amino]butanamide Openeye Name: N-(2-bromo-4-methyl-phenyl)-4-(2-nitroanilino)butanamide CAS Name: N-(2-bromo-4-methylphenyl)-4-(2-nitroanilino)butanamide IUPAC Name: N-(2-bromo-4-methylphenyl)-4-(2-nitroanilino)butanamide Traditional Name: N-(2-bromo-4-methyl-phenyl)-4-(2-nitroanilino)butyramide Formula: C17H18BrN3O3 MolecularWeight: 392.24712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CCCNC2=CC=CC=C2[N+](=O)[O-])Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CCCNC2=CC=CC=C2[N+](=O)[O-])Br

InChI

InChI=1S/C17H18BrN3O3/c1-12-8-9-14(13(18)11-12)20-17(22)7-4-10-19-15-5-2-3-6-16(15)21(23)24/h2-3,5-6,8-9,11,19H,4,7,10H2,1H3,(H,20,22)