N-(2-methyl-5-nitro-phenyl)-4-(3-methylpiperidin-1-yl)-3-nitro-benzamide

Systemtic Name: N-(2-methyl-5-nitro-phenyl)-4-(3-methylpiperidin-1-yl)-3-nitro-benzamide Openeye Name: N-(2-methyl-5-nitro-phenyl)-4-(3-methyl-1-piperidyl)-3-nitro-benzamide CAS Name: N-(2-methyl-5-nitrophenyl)-4-(3-methyl-1-piperidinyl)-3-nitrobenzamide IUPAC Name: N-(2-methyl-5-nitrophenyl)-4-(3-methylpiperidin-1-yl)-3-nitrobenzamide Traditional Name: N-(2-methyl-5-nitro-phenyl)-4-(3-methylpiperidino)-3-nitro-benzamide Formula: C20H22N4O5 MolecularWeight: 398.41248

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])C)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])C)[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O5/c1-13-4-3-9-22(12-13)18-8-6-15(10-19(18)24(28)29)20(25)21-17-11-16(23(26)27)7-5-14(17)2/h5-8,10-11,13H,3-4,9,12H2,1-2H3,(H,21,25)