(E)-N-(2-methyl-5-nitro-phenyl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide

Systemtic Name: (E)-N-(2-methyl-5-nitro-phenyl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide Openeye Name: (E)-N-(2-methyl-5-nitro-phenyl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide CAS Name: (E)-N-(2-methyl-5-nitrophenyl)-3-(6-nitro-1,3-benzodioxol-5-yl)-2-propenamide IUPAC Name: (E)-N-(2-methyl-5-nitrophenyl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide Traditional Name: (E)-N-(2-methyl-5-nitro-phenyl)-3-(6-nitro-1,3-benzodioxol-5-yl)acrylamide Formula: C17H13N3O7 MolecularWeight: 371.30102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C=CC2=CC3=C(C=C2[N+](=O)[O-])OCO3

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)/C=C/C2=CC3=C(C=C2[N+](=O)[O-])OCO3

InChI

InChI=1S/C17H13N3O7/c1-10-2-4-12(19(22)23)7-13(10)18-17(21)5-3-11-6-15-16(27-9-26-15)8-14(11)20(24)25/h2-8H,9H2,1H3,(H,18,21)/b5-3+