(2-oxidanylidene-2-phenylazanyl-ethyl) (E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoate

Systemtic Name: (2-oxidanylidene-2-phenylazanyl-ethyl) (E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoate Openeye Name: (2-anilino-2-oxo-ethyl) (E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoate CAS Name: (E)-3-(6-nitro-1,3-benzodioxol-5-yl)-2-propenoic acid (2-anilino-2-oxoethyl) ester IUPAC Name: (2-anilino-2-oxoethyl) (E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoate Traditional Name: (E)-3-(6-nitro-1,3-benzodioxol-5-yl)acrylic acid (2-anilino-2-keto-ethyl) ester Formula: C18H14N2O7 MolecularWeight: 370.31296

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)C=CC(=O)OCC(=O)NC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)/C=C/C(=O)OCC(=O)NC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H14N2O7/c21-17(19-13-4-2-1-3-5-13)10-25-18(22)7-6-12-8-15-16(27-11-26-15)9-14(12)20(23)24/h1-9H,10-11H2,(H,19,21)/b7-6+