(E)-3-(5-bromanyl-2-prop-2-ynoxy-phenyl)-2-(3-nitrophenyl)carbonyl-prop-2-enenitrile

Systemtic Name: (E)-3-(5-bromanyl-2-prop-2-ynoxy-phenyl)-2-(3-nitrophenyl)carbonyl-prop-2-enenitrile Openeye Name: (E)-3-(5-bromo-2-prop-2-ynoxy-phenyl)-2-(3-nitrobenzoyl)prop-2-enenitrile CAS Name: (E)-3-(5-bromo-2-prop-2-ynoxyphenyl)-2-[(3-nitrophenyl)-oxomethyl]-2-propenenitrile IUPAC Name: (E)-3-(5-bromo-2-prop-2-ynoxyphenyl)-2-(3-nitrobenzoyl)prop-2-enenitrile Traditional Name: (E)-3-(5-bromo-2-propargyloxy-phenyl)-2-(3-nitrobenzoyl)acrylonitrile Formula: C19H11BrN2O4 MolecularWeight: 411.20564

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Descriptors Computed from Structure

Canonical SMILES:

C#CCOC1=C(C=C(C=C1)Br)C=C(C#N)C(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

C#CCOC1=C(C=C(C=C1)Br)/C=C(\C#N)/C(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H11BrN2O4/c1-2-8-26-18-7-6-16(20)10-14(18)9-15(12-21)19(23)13-4-3-5-17(11-13)22(24)25/h1,3-7,9-11H,8H2/b15-9+