(E)-3-(4-bromanyl-3-nitro-phenyl)-2-(3-methoxyphenyl)carbonyl-prop-2-enenitrile

Systemtic Name: (E)-3-(4-bromanyl-3-nitro-phenyl)-2-(3-methoxyphenyl)carbonyl-prop-2-enenitrile Openeye Name: (E)-3-(4-bromo-3-nitro-phenyl)-2-(3-methoxybenzoyl)prop-2-enenitrile CAS Name: (E)-3-(4-bromo-3-nitrophenyl)-2-[(3-methoxyphenyl)-oxomethyl]-2-propenenitrile IUPAC Name: (E)-3-(4-bromo-3-nitrophenyl)-2-(3-methoxybenzoyl)prop-2-enenitrile Traditional Name: (E)-3-(4-bromo-3-nitro-phenyl)-2-m-anisoyl-acrylonitrile Formula: C17H11BrN2O4 MolecularWeight: 387.18424

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)C(=CC2=CC(=C(C=C2)Br)[N+](=O)[O-])C#N

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)/C(=C/C2=CC(=C(C=C2)Br)[N+](=O)[O-])/C#N

InChI

InChI=1S/C17H11BrN2O4/c1-24-14-4-2-3-12(9-14)17(21)13(10-19)7-11-5-6-15(18)16(8-11)20(22)23/h2-9H,1H3/b13-7+