4-nitro-N-[6-[[(2R)-1-oxidanylbutan-2-yl]amino]pyridin-3-yl]benzamide

Systemtic Name: 4-nitro-N-[6-[[(2R)-1-oxidanylbutan-2-yl]amino]pyridin-3-yl]benzamide Openeye Name: N-[6-[[(1R)-1-(hydroxymethyl)propyl]amino]-3-pyridyl]-4-nitro-benzamide CAS Name: N-[6-[[(2R)-1-hydroxybutan-2-yl]amino]-3-pyridinyl]-4-nitrobenzamide IUPAC Name: N-[6-[[(2R)-1-hydroxybutan-2-yl]amino]pyridin-3-yl]-4-nitrobenzamide Traditional Name: N-[6-[[(1R)-1-methylolpropyl]amino]-3-pyridyl]-4-nitro-benzamide Formula: C16H18N4O4 MolecularWeight: 330.33852

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)NC1=NC=C(C=C1)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC[C@H](CO)NC1=NC=C(C=C1)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H18N4O4/c1-2-12(10-21)18-15-8-5-13(9-17-15)19-16(22)11-3-6-14(7-4-11)20(23)24/h3-9,12,21H,2,10H2,1H3,(H,17,18)(H,19,22)/t12-/m1/s1