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

Systemtic Name: (E)-N-[2-(cyclopropylamino)-2-oxidanylidene-ethyl]-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide Openeye Name: (E)-N-[2-(cyclopropylamino)-2-oxo-ethyl]-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide CAS Name: (E)-N-[2-(cyclopropylamino)-2-oxoethyl]-3-(6-nitro-1,3-benzodioxol-5-yl)-2-propenamide IUPAC Name: (E)-N-[2-(cyclopropylamino)-2-oxoethyl]-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide Traditional Name: (E)-N-[2-(cyclopropylamino)-2-keto-ethyl]-3-(6-nitro-1,3-benzodioxol-5-yl)acrylamide Formula: C15H15N3O6 MolecularWeight: 333.2961

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)CNC(=O)C=CC2=CC3=C(C=C2[N+](=O)[O-])OCO3

Isomeric SMILES

C1CC1NC(=O)CNC(=O)/C=C/C2=CC3=C(C=C2[N+](=O)[O-])OCO3

InChI

InChI=1S/C15H15N3O6/c19-14(16-7-15(20)17-10-2-3-10)4-1-9-5-12-13(24-8-23-12)6-11(9)18(21)22/h1,4-6,10H,2-3,7-8H2,(H,16,19)(H,17,20)/b4-1+