N-[2-(furan-2-yl)-2-piperidin-1-yl-ethyl]-4-(2-methoxyethylamino)-3-nitro-benzamide

Systemtic Name: N-[2-(furan-2-yl)-2-piperidin-1-yl-ethyl]-4-(2-methoxyethylamino)-3-nitro-benzamide Openeye Name: N-[2-(2-furyl)-2-(1-piperidyl)ethyl]-4-(2-methoxyethylamino)-3-nitro-benzamide CAS Name: N-[2-(2-furanyl)-2-(1-piperidinyl)ethyl]-4-(2-methoxyethylamino)-3-nitrobenzamide IUPAC Name: N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-(2-methoxyethylamino)-3-nitrobenzamide Traditional Name: N-[2-(2-furyl)-2-piperidino-ethyl]-4-(2-methoxyethylamino)-3-nitro-benzamide Formula: C21H28N4O5 MolecularWeight: 416.47082

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC1=C(C=C(C=C1)C(=O)NCC(C2=CC=CO2)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

COCCNC1=C(C=C(C=C1)C(=O)NCC(C2=CC=CO2)N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H28N4O5/c1-29-13-9-22-17-8-7-16(14-18(17)25(27)28)21(26)23-15-19(20-6-5-12-30-20)24-10-3-2-4-11-24/h5-8,12,14,19,22H,2-4,9-11,13,15H2,1H3,(H,23,26)