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

Systemtic Name: 3-nitro-4-[[(2-propan-2-ylphenyl)amino]methyl]benzamide Openeye Name: 4-[(2-isopropylanilino)methyl]-3-nitro-benzamide CAS Name: 3-nitro-4-[(2-propan-2-ylanilino)methyl]benzamide IUPAC Name: 3-nitro-4-[(2-propan-2-ylanilino)methyl]benzamide Traditional Name: 4-[(2-isopropylanilino)methyl]-3-nitro-benzamide Formula: C17H19N3O3 MolecularWeight: 313.35106

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1NCC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC=CC=C1NCC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C17H19N3O3/c1-11(2)14-5-3-4-6-15(14)19-10-13-8-7-12(17(18)21)9-16(13)20(22)23/h3-9,11,19H,10H2,1-2H3,(H2,18,21)