(E)-3-(6-nitro-1,3-benzodioxol-5-yl)-N-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)prop-2-enamide

Systemtic Name: (E)-3-(6-nitro-1,3-benzodioxol-5-yl)-N-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)prop-2-enamide Openeye Name: (E)-3-(6-nitro-1,3-benzodioxol-5-yl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)prop-2-enamide CAS Name: (E)-3-(6-nitro-1,3-benzodioxol-5-yl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-propenamide IUPAC Name: (E)-3-(6-nitro-1,3-benzodioxol-5-yl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)prop-2-enamide Traditional Name: (E)-N-(3-keto-4H-1,4-benzoxazin-6-yl)-3-(6-nitro-1,3-benzodioxol-5-yl)acrylamide Formula: C18H13N3O7 MolecularWeight: 383.31172

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC2=C(O1)C=CC(=C2)NC(=O)C=CC3=CC4=C(C=C3[N+](=O)[O-])OCO4

Isomeric SMILES

C1C(=O)NC2=C(O1)C=CC(=C2)NC(=O)/C=C/C3=CC4=C(C=C3[N+](=O)[O-])OCO4

InChI

InChI=1S/C18H13N3O7/c22-17(19-11-2-3-14-12(6-11)20-18(23)8-26-14)4-1-10-5-15-16(28-9-27-15)7-13(10)21(24)25/h1-7H,8-9H2,(H,19,22)(H,20,23)/b4-1+