3-nitro-4-phenylazanyl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]benzamide

Systemtic Name: 3-nitro-4-phenylazanyl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]benzamide Openeye Name: 4-anilino-N-[[4-(isopropylcarbamoylamino)phenyl]methyl]-3-nitro-benzamide CAS Name: 4-anilino-3-nitro-N-[[4-[[oxo-(propan-2-ylamino)methyl]amino]phenyl]methyl]benzamide IUPAC Name: 4-anilino-3-nitro-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]benzamide Traditional Name: 4-anilino-N-[4-(isopropylcarbamoylamino)benzyl]-3-nitro-benzamide Formula: C24H25N5O4 MolecularWeight: 447.4864

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NC1=CC=C(C=C1)CNC(=O)C2=CC(=C(C=C2)NC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)NC(=O)NC1=CC=C(C=C1)CNC(=O)C2=CC(=C(C=C2)NC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C24H25N5O4/c1-16(2)26-24(31)28-20-11-8-17(9-12-20)15-25-23(30)18-10-13-21(22(14-18)29(32)33)27-19-6-4-3-5-7-19/h3-14,16,27H,15H2,1-2H3,(H,25,30)(H2,26,28,31)