[2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(1,3-benzodioxol-5-yl)-2-cyano-prop-2-enoate

Systemtic Name: [2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(1,3-benzodioxol-5-yl)-2-cyano-prop-2-enoate Openeye Name: [2-(2-bromo-4-nitro-anilino)-2-oxo-ethyl] (E)-3-(1,3-benzodioxol-5-yl)-2-cyano-prop-2-enoate CAS Name: (E)-3-(1,3-benzodioxol-5-yl)-2-cyano-2-propenoic acid [2-(2-bromo-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-bromo-4-nitroanilino)-2-oxoethyl] (E)-3-(1,3-benzodioxol-5-yl)-2-cyanoprop-2-enoate Traditional Name: (E)-3-(1,3-benzodioxol-5-yl)-2-cyano-acrylic acid [2-(2-bromo-4-nitro-anilino)-2-keto-ethyl] ester Formula: C19H12BrN3O7 MolecularWeight: 474.21848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H12BrN3O7/c20-14-7-13(23(26)27)2-3-15(14)22-18(24)9-28-19(25)12(8-21)5-11-1-4-16-17(6-11)30-10-29-16/h1-7H,9-10H2,(H,22,24)/b12-5+