N-(4-bromanyl-2-methyl-phenyl)-4-(cyclopropylamino)-3-nitro-benzamide

Systemtic Name: N-(4-bromanyl-2-methyl-phenyl)-4-(cyclopropylamino)-3-nitro-benzamide Openeye Name: N-(4-bromo-2-methyl-phenyl)-4-(cyclopropylamino)-3-nitro-benzamide CAS Name: N-(4-bromo-2-methylphenyl)-4-(cyclopropylamino)-3-nitrobenzamide IUPAC Name: N-(4-bromo-2-methylphenyl)-4-(cyclopropylamino)-3-nitrobenzamide Traditional Name: N-(4-bromo-2-methyl-phenyl)-4-(cyclopropylamino)-3-nitro-benzamide Formula: C17H16BrN3O3 MolecularWeight: 390.23124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-]

InChI

InChI=1S/C17H16BrN3O3/c1-10-8-12(18)3-7-14(10)20-17(22)11-2-6-15(19-13-4-5-13)16(9-11)21(23)24/h2-3,6-9,13,19H,4-5H2,1H3,(H,20,22)