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

Systemtic Name: (E)-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]-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide CAS Name: (E)-3-(6-nitro-1,3-benzodioxol-5-yl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]-2-propenamide IUPAC Name: (E)-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]-3-(6-nitro-1,3-benzodioxol-5-yl)acrylamide Formula: C15H17N3O6 MolecularWeight: 335.31198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17N3O6/c1-9(2)17-15(20)7-16-14(19)4-3-10-5-12-13(24-8-23-12)6-11(10)18(21)22/h3-6,9H,7-8H2,1-2H3,(H,16,19)(H,17,20)/b4-3+