4-(4-chloranyl-2-nitro-phenoxy)-3-methoxy-N-[2-(2-methylpropanoylamino)ethyl]benzamide

Systemtic Name: 4-(4-chloranyl-2-nitro-phenoxy)-3-methoxy-N-[2-(2-methylpropanoylamino)ethyl]benzamide Openeye Name: 4-(4-chloro-2-nitro-phenoxy)-3-methoxy-N-[2-(2-methylpropanoylamino)ethyl]benzamide CAS Name: 4-(4-chloro-2-nitrophenoxy)-3-methoxy-N-[2-[(2-methyl-1-oxopropyl)amino]ethyl]benzamide IUPAC Name: 4-(4-chloro-2-nitrophenoxy)-3-methoxy-N-[2-(2-methylpropanoylamino)ethyl]benzamide Traditional Name: 4-(4-chloro-2-nitro-phenoxy)-N-[2-(isobutyrylamino)ethyl]-3-methoxy-benzamide Formula: C20H22ClN3O6 MolecularWeight: 435.85818

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NCCNC(=O)C1=CC(=C(C=C1)OC2=C(C=C(C=C2)Cl)[N+](=O)[O-])OC

Isomeric SMILES

CC(C)C(=O)NCCNC(=O)C1=CC(=C(C=C1)OC2=C(C=C(C=C2)Cl)[N+](=O)[O-])OC

InChI

InChI=1S/C20H22ClN3O6/c1-12(2)19(25)22-8-9-23-20(26)13-4-6-17(18(10-13)29-3)30-16-7-5-14(21)11-15(16)24(27)28/h4-7,10-12H,8-9H2,1-3H3,(H,22,25)(H,23,26)