N-(1,3-benzodioxol-5-ylcarbamoyl)-2-[(2-chloranyl-5-nitro-phenyl)methyl-methyl-amino]ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylcarbamoyl)-2-[(2-chloranyl-5-nitro-phenyl)methyl-methyl-amino]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylcarbamoyl)-2-[(2-chloro-5-nitro-phenyl)methyl-methyl-amino]acetamide CAS Name: N-[(1,3-benzodioxol-5-ylamino)-oxomethyl]-2-[(2-chloro-5-nitrophenyl)methyl-methylamino]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylcarbamoyl)-2-[(2-chloro-5-nitrophenyl)methyl-methylamino]acetamide Traditional Name: N-(1,3-benzodioxol-5-ylcarbamoyl)-2-[(2-chloro-5-nitro-benzyl)-methyl-amino]acetamide Formula: C18H17ClN4O6 MolecularWeight: 420.80378

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=C(C=CC(=C1)[N+](=O)[O-])Cl)CC(=O)NC(=O)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CN(CC1=C(C=CC(=C1)[N+](=O)[O-])Cl)CC(=O)NC(=O)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H17ClN4O6/c1-22(8-11-6-13(23(26)27)3-4-14(11)19)9-17(24)21-18(25)20-12-2-5-15-16(7-12)29-10-28-15/h2-7H,8-10H2,1H3,(H2,20,21,24,25)