4-azanyl-2-methoxy-5-nitro-N-[1-(phenylmethyl)piperidin-4-yl]benzamide; iodanylmethane

Systemtic Name: 4-azanyl-2-methoxy-5-nitro-N-[1-(phenylmethyl)piperidin-4-yl]benzamide; iodanylmethane Openeye Name: 4-amino-N-(1-benzyl-4-piperidyl)-2-methoxy-5-nitro-benzamide; iodomethane CAS Name: 4-amino-2-methoxy-5-nitro-N-[1-(phenylmethyl)-4-piperidinyl]benzamide; iodomethane IUPAC Name: 4-amino-N-(1-benzylpiperidin-4-yl)-2-methoxy-5-nitrobenzamide; iodomethane Traditional Name: 4-amino-N-(1-benzyl-4-piperidyl)-2-methoxy-5-nitro-benzamide; iodomethane Formula: C21H27IN4O4 MolecularWeight: 526.36795

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)NC2CCN(CC2)CC3=CC=CC=C3)[N+](=O)[O-])N.CI

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)NC2CCN(CC2)CC3=CC=CC=C3)[N+](=O)[O-])N.CI

InChI

InChI=1S/C20H24N4O4.CH3I/c1-28-19-12-17(21)18(24(26)27)11-16(19)20(25)22-15-7-9-23(10-8-15)13-14-5-3-2-4-6-14;1-2/h2-6,11-12,15H,7-10,13,21H2,1H3,(H,22,25);1H3