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

Systemtic Name: (E)-N-methyl-3-(6-nitro-1,3-benzodioxol-5-yl)-N-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]prop-2-enamide Openeye Name: (E)-N-[2-(isopropylamino)-2-oxo-ethyl]-N-methyl-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide CAS Name: (E)-N-methyl-3-(6-nitro-1,3-benzodioxol-5-yl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]-2-propenamide IUPAC Name: (E)-N-methyl-3-(6-nitro-1,3-benzodioxol-5-yl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]prop-2-enamide Traditional Name: (E)-N-[2-(isopropylamino)-2-keto-ethyl]-N-methyl-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)NC(=O)CN(C)C(=O)C=CC1=CC2=C(C=C1[N+](=O)[O-])OCO2

Isomeric SMILES

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

InChI

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