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

Systemtic Name: (E)-N-[2-(ethylamino)-2-oxidanylidene-ethyl]-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide Openeye Name: (E)-N-[2-(ethylamino)-2-oxo-ethyl]-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide CAS Name: (E)-N-[2-(ethylamino)-2-oxoethyl]-3-(6-nitro-1,3-benzodioxol-5-yl)-2-propenamide IUPAC Name: (E)-N-[2-(ethylamino)-2-oxoethyl]-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide Traditional Name: (E)-N-[2-(ethylamino)-2-keto-ethyl]-3-(6-nitro-1,3-benzodioxol-5-yl)acrylamide Formula: C14H15N3O6 MolecularWeight: 321.2854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15N3O6/c1-2-15-14(19)7-16-13(18)4-3-9-5-11-12(23-8-22-11)6-10(9)17(20)21/h3-6H,2,7-8H2,1H3,(H,15,19)(H,16,18)/b4-3+