N-[1-(1,3-benzodioxol-5-ylamino)-3-methyl-1-oxidanylidene-butan-2-yl]-4-chloranyl-3-nitro-benzamide

Systemtic Name: N-[1-(1,3-benzodioxol-5-ylamino)-3-methyl-1-oxidanylidene-butan-2-yl]-4-chloranyl-3-nitro-benzamide Openeye Name: N-[1-(1,3-benzodioxol-5-ylcarbamoyl)-2-methyl-propyl]-4-chloro-3-nitro-benzamide CAS Name: N-[1-(1,3-benzodioxol-5-ylamino)-3-methyl-1-oxobutan-2-yl]-4-chloro-3-nitrobenzamide IUPAC Name: N-[1-(1,3-benzodioxol-5-ylamino)-3-methyl-1-oxobutan-2-yl]-4-chloro-3-nitrobenzamide Traditional Name: N-[1-(1,3-benzodioxol-5-ylcarbamoyl)-2-methyl-propyl]-4-chloro-3-nitro-benzamide Formula: C19H18ClN3O6 MolecularWeight: 419.81572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=CC2=C(C=C1)OCO2)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C)C(C(=O)NC1=CC2=C(C=C1)OCO2)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H18ClN3O6/c1-10(2)17(19(25)21-12-4-6-15-16(8-12)29-9-28-15)22-18(24)11-3-5-13(20)14(7-11)23(26)27/h3-8,10,17H,9H2,1-2H3,(H,21,25)(H,22,24)