N-[1-(2-methylpropanoyl)piperidin-4-yl]-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[1-(2-methylpropanoyl)piperidin-4-yl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[1-(2-methylpropanoyl)-4-piperidyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[1-(2-methyl-1-oxopropyl)-4-piperidinyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[1-(2-methylpropanoyl)piperidin-4-yl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-(1-isobutyryl-4-piperidyl)-3-nitro-4-pyrrolidino-benzamide Formula: C20H28N4O4 MolecularWeight: 388.46072

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCC(CC1)NC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CC(C)C(=O)N1CCC(CC1)NC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H28N4O4/c1-14(2)20(26)23-11-7-16(8-12-23)21-19(25)15-5-6-17(18(13-15)24(27)28)22-9-3-4-10-22/h5-6,13-14,16H,3-4,7-12H2,1-2H3,(H,21,25)