4-(cyclopropylamino)-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-nitro-benzamide

Systemtic Name: 4-(cyclopropylamino)-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-nitro-benzamide Openeye Name: 4-(cyclopropylamino)-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-nitro-benzamide CAS Name: 4-(cyclopropylamino)-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-nitrobenzamide IUPAC Name: 4-(cyclopropylamino)-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-nitrobenzamide Traditional Name: 4-(cyclopropylamino)-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-nitro-benzamide Formula: C19H19N3O5 MolecularWeight: 369.37126

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=C(C=C(C=C2)C(=O)NCC3COC4=CC=CC=C4O3)[N+](=O)[O-]

Isomeric SMILES

C1CC1NC2=C(C=C(C=C2)C(=O)NC[C@@H]3COC4=CC=CC=C4O3)[N+](=O)[O-]

InChI

InChI=1S/C19H19N3O5/c23-19(20-10-14-11-26-17-3-1-2-4-18(17)27-14)12-5-8-15(21-13-6-7-13)16(9-12)22(24)25/h1-5,8-9,13-14,21H,6-7,10-11H2,(H,20,23)/t14-/m1/s1