2-[1,3-bis(oxidanyl)propan-2-ylamino]-N-methoxy-4-[(3-methylphenyl)methyl]-5-nitro-benzamide

Systemtic Name: 2-[1,3-bis(oxidanyl)propan-2-ylamino]-N-methoxy-4-[(3-methylphenyl)methyl]-5-nitro-benzamide Openeye Name: 2-[[2-hydroxy-1-(hydroxymethyl)ethyl]amino]-N-methoxy-4-(m-tolylmethyl)-5-nitro-benzamide CAS Name: 2-(1,3-dihydroxypropan-2-ylamino)-N-methoxy-4-[(3-methylphenyl)methyl]-5-nitrobenzamide IUPAC Name: 2-(1,3-dihydroxypropan-2-ylamino)-N-methoxy-4-[(3-methylphenyl)methyl]-5-nitrobenzamide Traditional Name: 2-[(2-hydroxy-1-methylol-ethyl)amino]-N-methoxy-4-(3-methylbenzyl)-5-nitro-benzamide Formula: C19H23N3O6 MolecularWeight: 389.40242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CC2=C(C=C(C(=C2)NC(CO)CO)C(=O)NOC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)CC2=C(C=C(C(=C2)NC(CO)CO)C(=O)NOC)[N+](=O)[O-]

InChI

InChI=1S/C19H23N3O6/c1-12-4-3-5-13(6-12)7-14-8-17(20-15(10-23)11-24)16(19(25)21-28-2)9-18(14)22(26)27/h3-6,8-9,15,20,23-24H,7,10-11H2,1-2H3,(H,21,25)