(E)-N-[2-(tert-butylamino)-2-oxidanylidene-ethyl]-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide

Systemtic Name: (E)-N-[2-(tert-butylamino)-2-oxidanylidene-ethyl]-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide Openeye Name: (E)-N-[2-(tert-butylamino)-2-oxo-ethyl]-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide CAS Name: (E)-N-[2-(tert-butylamino)-2-oxoethyl]-3-(6-nitro-1,3-benzodioxol-5-yl)-2-propenamide IUPAC Name: (E)-N-[2-(tert-butylamino)-2-oxoethyl]-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide Traditional Name: (E)-N-[2-(tert-butylamino)-2-keto-ethyl]-3-(6-nitro-1,3-benzodioxol-5-yl)acrylamide Formula: C16H19N3O6 MolecularWeight: 349.33856

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CNC(=O)C=CC1=CC2=C(C=C1[N+](=O)[O-])OCO2

Isomeric SMILES

CC(C)(C)NC(=O)CNC(=O)/C=C/C1=CC2=C(C=C1[N+](=O)[O-])OCO2

InChI

InChI=1S/C16H19N3O6/c1-16(2,3)18-15(21)8-17-14(20)5-4-10-6-12-13(25-9-24-12)7-11(10)19(22)23/h4-7H,8-9H2,1-3H3,(H,17,20)(H,18,21)/b5-4+